SCHEMBL5495586

SCHEMBL5495586

CC(C)(C)c1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.53
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
IDH1 O75874 1/20 0.43
NPC1 O15118 2/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5778416 0.94 TRPV1 (0.46) TRPV1RAB9AMAPTMEN1MAPK1
SCHEMBL5495090 0.89 MAPT (0.52) TRPV1RAB9AMAPTIDH1NPC1
SCHEMBL5491134 0.86 NPC1 (0.59) TRPV1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL5494712 0.85 NPC1 (0.53) RAB9AMAPTTSHRSMN1; SMN2NPC1
SCHEMBL5496710 0.84 MAOB (0.59) TRPV1RAB9AMAPTMEN1KMT2A
SCHEMBL5491158 0.84 NPC1 (0.45) RAB9AMAPTMEN1TSHRKMT2A
SCHEMBL5494106 0.84 NPC1 (0.59) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL5497578 0.83 RAB9A (0.55) TRPV1RAB9AMAPTMEN1TSHR
SCHEMBL5778417 0.83 CCR2 (0.57) RAB9AMAPTMEN1MAPK1KMT2A
SCHEMBL5489136 0.83 TRPV1 (0.46) TRPV1RAB9AMAPTMEN1TSHR

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 TRPV1 1005/4885RAB9A 3267/4885MAPT 2283/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TRPV1 977/4885RAB9A 3249/4885MAPT 1663/4885

“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.