SCHEMBL3404543

SCHEMBL3404543

COC(=O)c1sc(S(C)(=O)=O)c(C#N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 4/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 3/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
MELK Q14680 2/20 0.38
ADORA2A P29274 1/20 0.38
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL3404253 0.84 GRIA4 (0.53) GRIA2GRIA4ALDH1A1KDM4EMAPT
SCHEMBL16690053 0.84 GRIA2 (0.40) GRIA2GRIA4ALDH1A1KDM4EMAPT
SCHEMBL7054378 0.78 GRIA2 (0.39) GRIA2GRIA4ALDH1A1KDM4EMAPT
SCHEMBL7979698 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL6796039 0.76 ALDH1A1 (0.58) GRIA2GRIA4ALDH1A1KDM4EMAPT
SCHEMBL3401657 0.74 GRIA4 (0.45) GRIA2GRIA4ALDH1A1KDM4EMAPT
SCHEMBL3131405 0.72 GRIA4 (0.79) GRIA2GRIA4KDM4EMAPTPLA2G1B
SCHEMBL3401686 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL4471909 0.72 MELK (0.60) ALDH1A1KDM4EMAPTSMN1; SMN2RXFP1
SCHEMBL6795094 0.71 MEN1 (0.44) GRIA2GRIA4ALDH1A1KDM4EMAPT

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
EP-2250160-B1 THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS MILLENNIUM PHARM INC (US) 2015-11-11 EP disclosed
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 GRIA2 2570/4885GRIA4 2350/4885ALDH1A1 1665/4885

“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.