SCHEMBL5038290

SCHEMBL5038290

CCOC(=O)c1cc(N=Cc2cccc(F)c2F)cn1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 7/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
EGFR P00533 1/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PTGS2 P35354 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL5033947 0.73 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL21766166 0.69 RAB9A (0.44) SMN1; SMN2ALDH1A1RAB9AMAPTKMT2A
SCHEMBL5037168 0.67 LMNA (0.42) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL5038287 0.65 GABRP (0.41) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL6022038 0.64 TSHR (0.44) SMN1; SMN2ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL5038310 0.63 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL14278707 0.63 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL5034142 0.63 NOD2 (0.48) SMN1; SMN2NPC1MAPTKMT2AMEN1
SCHEMBL11415311 0.63 TSHR (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL11410074 0.62 PTGS2 (0.42) ALDH1A1MAPTHTTRECQLPTGS2

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 SMN1; SMN2 2391/4885ALDH1A1 3409/4885NPC1 2944/4885
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 SMN1; SMN2 3423/4885ALDH1A1 1944/4885NPC1 1378/4885

“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.