SCHEMBL5043357

SCHEMBL5043357

COC(=O)c1cc(C(=S)N(F)c2cccc(F)c2)cn1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
POLB P06746 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
PER2 O15055 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL5033957 0.89 ALDH1A1 (0.38) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL5041304 0.72 RAB9A (0.38) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL5041467 0.71 CYP1A2 (0.38) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL5033952 0.70 RAB9A (0.46) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL14278707 0.67 SMN1; SMN2 (0.37) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL5038310 0.67 SMN1; SMN2 (0.37) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL5036604 0.64 PKM (0.46) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL5042461 0.63 CYP1A2 (0.47) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL5038166 0.62 ALDH1A1 (0.41) ALDH1A1RAB9ACYP1A2CYP2C19POLB
SCHEMBL29570653 0.61 KMT2A (0.69) ALDH1A1TSHRKMT2AMEN1MAPT

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 ALDH1A1 3409/4885L3MBTL1 1713/4885TSHR 3875/4885
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 ALDH1A1 1944/4885L3MBTL1 1827/4885TSHR 2907/4885

“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.