SCHEMBL14377331

SCHEMBL14377331

O=S(=O)(Nc1ccc(-c2cc(-c3ncco3)ccc2Cl)cc1)c1c(F)cncc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2D6 P10635 5/20 0.36
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
PIK3CA P42336 2/20 0.35
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
AKT1 P31749 1/20 0.35
ACLY P53396 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
IL2 P60568 1/20 0.34

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
SCHEMBL8227014 0.88 PIK3CA (0.39) SGK1GPR119CYP3A4CYP2D6PSEN1
SCHEMBL14377329 0.88 PIK3CD (0.44) EDNRBEDNRAPIK3CAAKT1CCNC
SCHEMBL5029416 0.83 KDM4E (0.48) SGK1GPR119CYP3A4
SCHEMBL5029428 0.83 PIK3CA (0.45) SGK1PIK3CAPIK3CD
SCHEMBL5029432 0.82 SGK1 (0.45) SGK1GPR119EDNRBEDNRAPIK3CA
SCHEMBL5032067 0.81 GPR119 (0.46) GPR119CYP3A4EDNRBEDNRAACLY
SCHEMBL4762873 0.80 IL2 (0.49) FAAHEPHX2IL2
SCHEMBL8237131 0.80 ACLY (0.41) SGK1GPR119CYP3A4CYP2D6PSEN1
SCHEMBL5029678 0.78 IL2 (0.51) GPR119EDNRBEDNRAIL2PIK3CD
SCHEMBL8233270 0.76 PIK3CD (0.45) EDNRBEDNRAPIK3CAAKT1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-08-28 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-8741960-B2 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 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 (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-20070249050-A1 Substituted aromatic compounds for inflammation and immune-related uses CCR1, NLRP1, NLRP3 SGK1 1665/4885GPR119 1390/4885CYP3A4 507/4885
US-20140242120-A1 SUBSTITUTED AROMATIC COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, NLRP1, NLRP3 SGK1 1665/4885GPR119 1390/4885CYP3A4 507/4885

“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.