SCHEMBL4696076

SCHEMBL4696076

C=CCS(=O)(=O)Nc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
MITF O75030 1/20 0.30
NSD2 O96028 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL2206469 0.79 PSIP1 (0.46) ALDH1A1LMNAHTTKMT2AL3MBTL1
SCHEMBL5487764 0.77 PSIP1 (0.33) LMNAKMT2A
SCHEMBL5478677 0.77 CA12 (0.31)
SCHEMBL3839740 0.75 KEAP1 (0.33)
SCHEMBL5119165 0.75 PTGES2 (0.33)
SCHEMBL2540301 0.75 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL3767524 0.75 KMT2A (0.50) ALDH1A1KMT2A
SCHEMBL8668452 0.73 MAPT (0.39) ALDH1A1HTTKMT2AL3MBTL1MEN1
SCHEMBL321565 0.73 KEAP1 (0.47) ALDH1A1LMNAKMT2AMEN1
SCHEMBL8669528 0.72 AR (0.45) ALDH1A1LMNAMAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US claimed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US claimed
EP-2782915-B1 [1,2,3]TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2015-09-30 EP claimed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO claimed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP claimed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO claimed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
EP-0358284-A2 Derivatized alkanolamines as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-14 EP disclosed
EP-0334593-A1 Chiral azetidinone epoxides THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-27 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 (2 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT ALDH1A1 996/4885LMNA 4603/4885HTT 1537/4885
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK ALDH1A1 2994/4885LMNA 4151/4885HTT 2824/4885

“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.