SCHEMBL5047748

SCHEMBL5047748

COC(=O)c1cc(S(=O)(=O)Cc2nnnn2-c2cccc(F)c2F)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6021965 0.71 KMT2A (0.43) POLBKMT2AMEN1GAAMAPT
SCHEMBL5033949 0.71 KMT2A (0.44) POLBKMT2AMEN1GAAMAPT
SCHEMBL5041301 0.69 KMT2A (0.43) POLBKMT2AMEN1GAAMAPT
SCHEMBL29668460 0.69 KMT2A (0.66) POLBKMT2AMEN1GAAALDH1A1
SCHEMBL5038308 0.68 KMT2A (0.41) POLBKMT2AMEN1GAAMAPT
SCHEMBL5047754 0.65 KCNN4 (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5037079 0.65 KCNN4 (0.40) ALDH1A1
SCHEMBL5033945 0.63 TSHR (0.41) POLBKMT2AMEN1GAAMAPT
SCHEMBL23877982 0.63 KMT2A (0.52) POLBKMT2AMEN1GAAMAPT
SCHEMBL5038287 0.62 GABRP (0.41) KMT2AMEN1GAAMAPTALDH1A1

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 4 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
US-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met VERTEX PHARMACEUTICALS INCORPORATED 2005-05-12 US 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 POLB 2219/4885KMT2A 1635/4885MEN1 493/4885
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 POLB 1863/4885KMT2A 1414/4885MEN1 494/4885

“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.