SCHEMBL10129537

SCHEMBL10129537

CC(C)(C)C(=O)c1cc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.65
NPC1 O15118 10/20 0.57
RAB9A P51151 9/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
TP53 P04637 3/20 0.57
PKM P14618 3/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL19400498 0.83 FLT3 (0.57) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL241548 0.79 FLT3 (0.71) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL244107 0.79 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL31061078 0.79 FLT3 (1.00) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL29926214 0.78 MAPT (0.60) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL8110867 0.78 MAOA (0.67) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL13543171 0.78 KDM4E (0.66) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13404107 0.78 MAOB (0.69) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL29496924 0.77 FLT3 (0.74) FLT3NPC1RAB9AMEN1KMT2A
SCHEMBL5366245 0.77 FLT3 (0.74) FLT3NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
EP-0020391-A1 SUBSTITUTED ACETIC ACID ESTERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-01-07 EP disclosed
WO-1980000563-A1 SUBSTITUTED ACETIC ACID ESTERS SOREX LTD (GB) 1980-04-03 WO 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 (12 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FLT3 1610/4885NPC1 2049/4885RAB9A 1028/4885
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FLT3 1610/4885NPC1 2049/4885RAB9A 1028/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 FLT3 1610/4885NPC1 2049/4885RAB9A 1028/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD FLT3 1197/4885NPC1 2542/4885RAB9A 3779/4885
US-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK FLT3 3260/4885NPC1 482/4885RAB9A 1155/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 FLT3 1623/4885NPC1 4213/4885RAB9A 1372/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FLT3 1610/4885NPC1 2049/4885RAB9A 1028/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B FLT3 813/4885NPC1 4601/4885RAB9A 2565/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 FLT3 1661/4885NPC1 2072/4885RAB9A 1034/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 FLT3 1673/4885NPC1 4435/4885RAB9A 1211/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL FLT3 2640/4885NPC1 591/4885RAB9A 1986/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV FLT3 2239/4885NPC1 481/4885RAB9A 2344/4885

“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.