SCHEMBL5495103

SCHEMBL5495103

Cc1ccc(Cl)cc1NC(=O)N(C=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
ALPI P09923 1/20 0.47
NPC1 O15118 8/20 0.43
RAB9A P51151 7/20 0.43
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5778760 0.94 ALPI (0.54) MAPTTP53ALPINPC1RAB9A
SCHEMBL5496362 0.87 MAPK11 (0.44) MAPTTP53NPC1RAB9AMAPK11
SCHEMBL5494472 0.87 NPC1 (0.59) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5487868 0.86 NPC1 (0.52) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL5486876 0.83 MAOB (0.56) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL5495242 0.83 RXFP1 (0.48) MAPTNPC1RAB9AKMT2APOLB
SCHEMBL5487882 0.83 NPC1 (0.52) MAPTTP53NPC1RAB9ACASP3
SCHEMBL5782337 0.81 MAPT (0.52) MAPTTP53ALPINPC1RAB9A
SCHEMBL5487223 0.81 MAOB (0.56) MAPTTP53NPC1RAB9AKMT2A
SCHEMBL5778757 0.80 ALDH1A1 (0.49) MAPTTP53ALPINPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 2283/4885TP53 3234/4885ALPI 1238/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1663/4885TP53 3229/4885ALPI 1552/4885

“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.