SCHEMBL1552287

SCHEMBL1552287

CS(=O)(=O)c1sc(C(N)=O)c(I)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
GAA P10253 1/20 0.39
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5731532 0.86 GRIA4 (0.53) GRIA2GRIA4ALDH1A1MAPK1
SCHEMBL623756 0.80 L3MBTL1 (0.47) GRIA2GRIA4GAAALDH1A1L3MBTL1
SCHEMBL3133960 0.77 GAA (0.47) GAAALDH1A1L3MBTL1NPSR1TSHR
SCHEMBL1551473 0.73 GRIA4 (0.46) GRIA2GRIA4GAACCNCCDK8
SCHEMBL3404253 0.73 GRIA4 (0.53) GRIA2GRIA4GAAALDH1A1NPSR1
SCHEMBL3128132 0.73 GRIA2 (0.42) GRIA2GRIA4GAAALDH1A1L3MBTL1
SCHEMBL3404543 0.71 GRIA2 (0.42) GRIA2GRIA4GAAALDH1A1TSHR
SCHEMBL4422079 0.68 GRIA4 (0.51) GRIA2GRIA4ALDH1A1MAPK1
SCHEMBL3206052 0.68 GRIA4 (0.61) GRIA2GRIA4ALDH1A1MAPK1
SCHEMBL6796039 0.66 ALDH1A1 (0.58) GRIA2GRIA4GAAALDH1A1NPSR1

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 29 patents — showing the first 20. 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-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
EP-2313399-B1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARM INC (US) 2014-05-28 EP disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20130217689-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-8440664-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-14 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-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100075951-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-25 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
US-20090325925-A1 Thiophenes and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009154741-A1 THIOPHENE OR THIAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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 (3 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-20100075951-A1 Heteroaryls and uses thereof PIK3R3, AKT1S1, PIK3R1 GRIA2 2729/4885GRIA4 4190/4885GAA 2761/4885
US-20130217689-A1 HETEROARYLS AND USES THEREOF PIK3R3, AKT1S1, PIK3R1 GRIA2 2729/4885GRIA4 4190/4885GAA 2761/4885
US-20090325925-A1 Thiophenes and uses thereof PIK3CA, JAK2, MTOR GRIA2 2570/4885GRIA4 2350/4885GAA 4377/4885

“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.