SCHEMBL924231

SCHEMBL924231

[c]1ccccc1Sc1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
TAAR1 Q96RJ0 2/20 0.33
TXN P10599 1/20 0.33
TXNRD1 Q16881 1/20 0.33
HDAC1 Q13547 1/20 0.33
GRIN2B Q13224 2/20 0.32
FDPS P14324 1/20 0.32
ADRA1A P35348 2/20 0.32
BRAF P15056 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN2A Q12879 1/20 0.31
GCK P35557 1/20 0.30

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
SCHEMBL1740306 0.73 TXN (0.45) MTORADKNISCHTAAR1TXN
SCHEMBL2423602 0.73
SCHEMBL995920 0.73 HSD17B10 (0.35)
SCHEMBL5032699 0.73 MTOR (0.45) MTORADKNISCHTAAR1TXN
SCHEMBL4715843 0.71 BCHE (0.51) TXN
SCHEMBL295632 0.70 EHMT2 (0.48)
SCHEMBL6642579 0.70
SCHEMBL6527005 0.70 EHMT2 (0.48) MTORADKNISCHTAAR1TXN
SCHEMBL3145115 0.68 DDAH1 (0.50)
SCHEMBL10396006 0.68 MEN1 (0.51) MTORADKNISCHHDAC1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US claimed
WO-2003030898-A1 MODULATORS OF CCR5 CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-04-17 WO claimed
US-6511994-B2 For prophylaxis and therapy of infection by HIV and the treatment of AIDS MERCK & CO., INC. 2003-01-28 US claimed
US-20020193407-A1 Modulators of CCR5 chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-12-19 US claimed
JP-2002541103-A 2002-12-03 JP claimed
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 US claimed
EP-1171122-A4 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2002-05-29 EP claimed
EP-1171122-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2002-01-16 EP claimed
US-6248755-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES MERCK & CO., INC. 2001-06-19 US claimed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO claimed
CN-117700463-A Organometallic compound, light-emitting device, electronic device, and electronic apparatus 三星显示有限公司 2024-03-15 CN disclosed
US-9610317-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2017-04-04 US disclosed
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2016-03-24 US disclosed
US-9233136-B2 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2016-01-12 US disclosed
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. 2014-11-06 US disclosed
WO-2000059502-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO disclosed
US-5780632-A Imide derivatives and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-07-14 US disclosed
EP-0464846-B1 Imide derivatives, and their production and use SUMITOMO PHARMA (JP) 1998-04-22 EP disclosed
US-5532372-A Imide derivatives, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1996-07-02 US disclosed
EP-0464846-A1 Imide derivatives, and their production and use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-01-08 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 (5 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-20020193407-A1 Modulators of CCR5 chemokine receptor activity CCR5, CXCR3, CXCR1 MTOR 3698/4885ADK 1793/4885NISCH 4687/4885
US-20160082069-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ZC3HAV1, VIP, ZC3HAV1L MTOR 2792/4885ADK 2820/4885NISCH 3333/4885
US-20140328796-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 MTOR 3439/4885ADK 2348/4885NISCH 3003/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 MTOR 2352/4885ADK 2086/4885NISCH 985/4885
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 MTOR 2250/4885ADK 1630/4885NISCH 4239/4885

“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.