SCHEMBL5033952

SCHEMBL5033952

COC(=O)c1cc(C(=O)Nc2cccc(F)c2F)cn1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
PLA2G7 Q13093 1/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
MAPK10 P53779 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL5041304 0.89 RAB9A (0.38) RAB9ASMN1; SMN2HTTNPC1POLB
SCHEMBL5038310 0.88 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2HTTNPC1POLB
SCHEMBL14278707 0.88 SMN1; SMN2 (0.37) RAB9ASMN1; SMN2HTTNPC1POLB
SCHEMBL14278746 0.77 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2HTTNPC1POLB
SCHEMBL5043490 0.77 PLA2G7 (0.37) RAB9ASMN1; SMN2HTTNPC1POLB
SCHEMBL5041467 0.72 CYP1A2 (0.38) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL5033957 0.71 ALDH1A1 (0.38) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL5042461 0.71 CYP1A2 (0.47) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL5043357 0.70 ALDH1A1 (0.36) RAB9ASMN1; SMN2NPC1POLBMEN1
SCHEMBL5047754 0.68 KCNN4 (0.39) RAB9ASMN1; SMN2HTTMEN1KMT2A

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-1660487-B1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMA (US) 2008-03-19 EP disclosed
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-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US 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 RAB9A 2600/4885SMN1; SMN2 2391/4885HTT 1414/4885
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 RAB9A 3397/4885SMN1; SMN2 3423/4885HTT 3031/4885

“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.