SCHEMBL5033947

SCHEMBL5033947

CCOC(=O)c1cc(NC(=O)c2cccc(F)c2F)cn1S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY12 Q9H244 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 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
SCHEMBL830006 0.73 TSHR (0.63) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL5038290 0.73 SMN1; SMN2 (0.38) SMN1; SMN2RAB9ANPC1KDM4ELMNA
SCHEMBL21766166 0.69 RAB9A (0.44) SMN1; SMN2RAB9AKDM4EPOLBLMNA
SCHEMBL10442494 0.68 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1KDM4ETP53
SCHEMBL5033952 0.68 RAB9A (0.46) SMN1; SMN2RAB9ANPC1POLBPKM
SCHEMBL14278746 0.68 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1KDM4EPOLB
SCHEMBL5037168 0.67 LMNA (0.42) SMN1; SMN2RAB9ANPC1KDM4ELMNA
Isopropylamine SCHEMBL27585721 0.67 TSHR (0.54) SMN1; SMN2KDM4EPOLBLMNATP53
SCHEMBL3610429 0.66 ALDH1A1 (0.65) SMN1; SMN2RAB9ANPC1POLBPKM
SCHEMBL7467330 0.66 TSHR (0.70) SMN1; SMN2KDM4EPOLBLMNATP53

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 SMN1; SMN2 2391/4885RAB9A 2600/4885NPC1 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 3423/4885RAB9A 3397/4885NPC1 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.