SCHEMBL3403380

SCHEMBL3403380

COC(=O)c1sc(SC)c(C#N)c1I

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.45
GRIA2 P42262 1/20 0.42
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
FNTA P49354 8/20 0.37
FNTB P49356 8/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 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
SCHEMBL622911 0.87 KDM4E (0.49) NPSR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL1551995 0.84 GRIA4 (0.57) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL1551473 0.83 GRIA4 (0.46) GRIA4GRIA2NPSR1L3MBTL1GAA
SCHEMBL10017671 0.83 GAA (0.48) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL3401657 0.81 GRIA4 (0.45) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL7815351 0.80 GRIA4 (0.50) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL10654112 0.75 GRIA4 (0.61) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL10652865 0.74 GRIA4 (0.60) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL13118452 0.73 GRIA4 (0.39) GRIA4GRIA2PLA2G1BATG4BMAPT
SCHEMBL3127898 0.72 GRIA4 (0.78) GRIA4GRIA2PLA2G1BATG4BMAPT

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 10 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
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
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 GRIA4 2350/4885GRIA2 2570/4885PLA2G1B 847/4885

“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.