SCHEMBL2054595

SCHEMBL2054595

CC(C)(C)c1cc[nH]c(=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
BTK Q06187 4/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30211315 0.83 NOTUM (0.39) NOTUMBTKL3MBTL1FKBP5CRBN
SCHEMBL24943297 0.79 NOTUM (0.37) NOTUMBTKL3MBTL1FKBP5CRBN
SCHEMBL24849937 0.79 NPC1 (0.46) NOTUMBTKALDH1A1L3MBTL1NPC1
SCHEMBL15394541 0.79 NOTUM (0.59) NOTUMBTKALDH1A1L3MBTL1HDAC4
SCHEMBL3282137 0.78 NOTUM (0.58) NOTUMBTKALDH1A1L3MBTL1NPC1
SCHEMBL1931574 0.77 HSD17B10 (0.52) NOTUMHSD17B10SCN8ASCN10AHDAC6
SCHEMBL19646434 0.77 NOTUM (0.35) NOTUMBTKL3MBTL1NPC1CASP3
SCHEMBL10677900 0.74 HSD17B10 (0.41) NOTUML3MBTL1HSD17B10FKBP5SCN8A
SCHEMBL22560194 0.73 BTK (0.43) NOTUMBTKSCN8ASCN10AHDAC6
SCHEMBL9301298 0.73 NOTUM (0.33) NOTUML3MBTL1NSD2ABL1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
EP-4289833-A1 TYK2 INHIBITOR COMPOUND CONTAINING BICYCLIC RING CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-13 EP disclosed
US-20230374022-A1 INHIBITORS OF PARG 858 THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
US-20230279007-A1 Compounds for Improving mRNA Splicing THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2023-09-07 US disclosed
US-11702417-B2 Compounds for improving mRNA splicing THE GENERAL HOSPITAL CORPORATION (US) 2023-07-18 US disclosed
US-11661421-B2 Indolizine compounds, preparation method and use thereof HAIHE BIOPHARMA CO., LTD. (CN) 2023-05-30 US disclosed
US-11661421-B2 Indolizine compounds, preparation method and use thereof HAIHE BIOPHARMA CO., LTD. (CN) 2023-05-30 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230374022-A1 INHIBITORS OF PARG PARG, PLG, SERPINB1 NOTUM 670/4885BTK 4665/4885ALDH1A1 4379/4885
US-20230279007-A1 Compounds for Improving mRNA Splicing RTCB, RBM17, HNRNPA2B1 NOTUM 2937/4885BTK 4846/4885ALDH1A1 2393/4885
US-11661421-B2 Indolizine compounds, preparation method and use thereof EZH1, EZH2, IKZF3 NOTUM 1166/4885BTK 1094/4885ALDH1A1 2385/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NOTUM 1689/4885BTK 1004/4885ALDH1A1 156/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 NOTUM 2445/4885BTK 122/4885ALDH1A1 1874/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 NOTUM 4220/4885BTK 4147/4885ALDH1A1 500/4885
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 NOTUM 2238/4885BTK 3524/4885ALDH1A1 4142/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 NOTUM 1254/4885BTK 4277/4885ALDH1A1 114/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 NOTUM 1407/4885BTK 195/4885ALDH1A1 2061/4885
US-11702417-B2 Compounds for improving mRNA splicing RTCB, RBM17, HNRNPA2B1 NOTUM 2937/4885BTK 4846/4885ALDH1A1 2393/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC NOTUM 2666/4885BTK 2043/4885ALDH1A1 2364/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 NOTUM 2050/4885BTK 217/4885ALDH1A1 3910/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET NOTUM 1689/4885BTK 1004/4885ALDH1A1 156/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.