SCHEMBL5037203

SCHEMBL5037203

O=C(Cc1ccn(S(=O)(=O)c2ccccc2)c1)c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
PKM P14618 1/20 0.44
KAT6A Q92794 6/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
TNFSF11 O14788 1/20 0.38
HPGD P15428 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 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
SCHEMBL5036587 0.80 HTR6 (0.58) HTR6PKMPTGS1PTGS2HDAC6
SCHEMBL5037061 0.78 KAT6A (0.41) PKMKAT6ACES2BCHECES1
SCHEMBL5034041 0.72 HTR6 (0.56) HTR6PKMHDAC6HPGDTUBB4A
SCHEMBL1516211 0.71 PKM (0.64) HTR6PKMHDAC6CES2CES1
SCHEMBL752913 0.69 HTR6 (0.55) HTR6PKMHDAC6HPGDGRM4
SCHEMBL7775878 0.69 CA1 (0.50) HTR6PKMHDAC6GRM4
SCHEMBL10467679 0.69 HTR6 (0.66) HTR6PKMHDAC6TUBB4ATUBB
SCHEMBL4507430 0.67 HTR6 (0.59) HTR6PKMHDAC6MEN1KMT2A
SCHEMBL1273957 0.67 PKM (0.53) HTR6PKMHDAC6BCHETUBB4A
SCHEMBL7128590 0.66 HTR6 (0.57) HTR6PKMHDAC6HPGDTUBB4A

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 HTR6 3169/4885PKM 237/4885KAT6A 3223/4885
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 HTR6 2228/4885PKM 195/4885KAT6A 3091/4885

“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.