SCHEMBL113995

SCHEMBL113995

Cc1nc(S(C)(=O)=O)sc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 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
SCHEMBL7476144 0.79 NOS1 (0.39) NOS1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6098722 0.79 CA2 (0.45) NOS1CA1CA2CA4CA5A
SCHEMBL23569112 0.79 NOS1 (0.39) NOS1RAB9ASMN1; SMN2
SCHEMBL16486114 0.77 TSHR (0.35) CA1CA2CA4CA5ACA5B
SCHEMBL8346166 0.77 TSHR (0.35) CA1CA2CA4CA5ACA5B
SCHEMBL23569833 0.76 NOS1 (0.41) NOS1CA1CA2CA4CA5A
SCHEMBL15281026 0.74 GLP1R (0.35) CA1CA2CA4CA5ACA5B
SCHEMBL16511460 0.74 TSHR (0.33) CA1CA2CA4CA5ACA5B
SCHEMBL9872420 0.71 CA2 (0.56) CA1CA2CA4CA5ACA5B
SCHEMBL11703741 0.69 RARA (0.48) KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 US disclosed
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 US disclosed
EP-1757635-B1 Curable ink comprising modified oxetane compound FUJIFILM CORP (JP) 2008-10-08 EP disclosed
US-6358983-B1 FOR THERAPY OF HYPERTENSION, ACUTE MYOCARDIAL INFARCT, PULMONARY HYPERTENSION, RAYNAUD'S SYNDROME, CEREBRAL VASOSPASMS, STROKE, BENIGN PROSTATE HYPERTROPHY, ATHEROSCLEROSIS, ASTHMA AND PROSTATE CANCER ABBOTT LABORATORIES 2002-03-19 US disclosed
CN-1278805-A Novel heterocycle-substituted alpha-hydroxycarboxylic acid derivatives, their production and their use as endothelin receptor antagonists BASF AG (DE) 2001-01-03 CN disclosed
EP-1037883-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED $g(a)-HYDROXYCARBOXLIC ACID DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-27 EP disclosed
WO-1999025701-A1 NOVEL HETEROCYCLICALLY SUBSTITUTED α-HYDROXYCARBOXLIC ACID DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-05-27 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 (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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 NOS1 2188/4885CA1 2807/4885CA2 1268/4885
US-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 NOS1 4527/4885CA1 4676/4885CA2 4535/4885

“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.