SCHEMBL5033949

SCHEMBL5033949

COC(=O)c1cc(S(=O)(=O)CC(=O)Nc2cccc(F)c2F)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 3/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5041301 0.90 KMT2A (0.43) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5038308 0.88 KMT2A (0.41) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL6021965 0.77 KMT2A (0.43) KMT2AMEN1GAAPOLBMAPT
SCHEMBL5042457 0.71 KMT2A (0.44) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL5047748 0.71 POLB (0.40) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL29668460 0.69 KMT2A (0.66) KMT2AMEN1GAAPOLBALDH1A1
SCHEMBL5033945 0.68 TSHR (0.41) KMT2AMEN1GAAPOLBMAPT
SCHEMBL29191087 0.66 MAPK14 (0.57) KMT2AGAAPOLBALDH1A1
SCHEMBL17607093 0.65 POLB (0.66) GAAPOLBALDH1A1
SCHEMBL23877982 0.65 KMT2A (0.52) KMT2AMEN1GAAPOLBALDH1A1

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
EP-1660487-B1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMA (US) 2008-03-19 EP disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1660487-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met VERTEX PHARMACEUTICALS INCORPORATED 2005-05-12 US disclosed
WO-2005016920-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-24 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 (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-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met MET, PRKCH, DMPK KMT2A 1635/4885MEN1 493/4885GAA 2737/4885
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase MET, DMPK, CDK4 KMT2A 1414/4885MEN1 494/4885GAA 3286/4885

“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.