SCHEMBL765786

SCHEMBL765786

COC(=O)[C@@H](C)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.44
MME P08473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CA12 O43570 2/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
BIRC2 Q13490 1/20 0.39
POLB P06746 1/20 0.39
FOLH1 Q04609 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL765447 1.00 CA14 (0.44) CA14MMESMN1; SMN2CA12CA7
SCHEMBL8659048 1.00 CA14 (0.44) CA14MMESMN1; SMN2CA12CA7
SCHEMBL24072865 0.89 SMN1; SMN2 (0.46) CA14MMESMN1; SMN2CA12CA7
SCHEMBL1557617 0.89 SMN1; SMN2 (0.46) CA14MMESMN1; SMN2CA12CA7
SCHEMBL23499675 0.84 SMN1; SMN2 (0.42) CA14MMESMN1; SMN2CA12CA7
SCHEMBL12764098 0.82 SMN1; SMN2 (0.41) CA14MMESMN1; SMN2CA12CA7
SCHEMBL23499631 0.82 SMN1; SMN2 (0.41) CA14MMESMN1; SMN2CA12CA7
SCHEMBL12951364 0.80 SMN1; SMN2 (0.39) CA14MMESMN1; SMN2CA12CA7
SCHEMBL20751955 0.80 SMN1; SMN2 (0.39) CA14MMESMN1; SMN2CA12CA7
SCHEMBL20751878 0.80 SMN1; SMN2 (0.39) CA14MMESMN1; SMN2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
US-20180066018-A1 CONFORMATIONALLY STABLE ANALOGS OF THE RESPONSE SELECTIVE C5A AGONIST EP67 THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-03-08 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150344424-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-12-03 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-8927564-B2 Synthesis of polycyclic alkaloids RIGEL PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-20130237524-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS RIGEL PHARMACEUTICALS, INC. (US) 2013-09-12 US disclosed
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 (11 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA14 4026/4885MME 1933/4885SMN1; SMN2 4707/4885
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT CA14 1098/4885MME 1509/4885SMN1; SMN2 4353/4885
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 CA14 1239/4885MME 56/4885SMN1; SMN2 250/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CA14 4051/4885MME 3997/4885SMN1; SMN2 4598/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA14 4026/4885MME 1933/4885SMN1; SMN2 4707/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CA14 3737/4885MME 2189/4885SMN1; SMN2 311/4885
US-20130237524-A1 SYNTHESIS OF POLYCYCLIC ALKALOIDS PNMT, ACHE, PRMT5 CA14 386/4885MME 2458/4885SMN1; SMN2 1331/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CA14 4233/4885MME 3367/4885SMN1; SMN2 4482/4885
US-20180066018-A1 CONFORMATIONALLY STABLE ANALOGS OF THE RESPONSE SELECTIVE C5A AGONIST EP67 C5AR1, C5AR2, C3AR1 CA14 4718/4885MME 619/4885SMN1; SMN2 3212/4885
US-20150344424-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, UTS2R, MC2R CA14 1502/4885MME 498/4885SMN1; SMN2 4672/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CA14 4026/4885MME 1933/4885SMN1; SMN2 4707/4885

“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.