SCHEMBL3401439

SCHEMBL3401439

CCOC(=O)c1sc(S(C)(=O)=O)c(C#N)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.50
FNTB P49356 13/20 0.50
GRIA2 P42262 1/20 0.48
GRIA4 P48058 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BRAF P15056 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3128690 0.84 GRIA2 (0.54) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL2680927 0.84 GRIA2 (0.56) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3403394 0.83 FNTA (0.59) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL17244482 0.82 GRIA4 (0.47) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3131141 0.82 GRIA4 (0.72) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3131147 0.80 GRIA2 (0.49) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL8282864 0.79 GRIA2 (0.48) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL3402838 0.77 PIK3CA (0.58) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL623756 0.75 L3MBTL1 (0.47) FNTAFNTBGRIA2GRIA4ALDH1A1
SCHEMBL26664883 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029411-B2 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
EP-2250160-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094224-A1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-30 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 (1 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-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR FNTA 3475/4885FNTB 3949/4885GRIA2 2570/4885

“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.