SCHEMBL5493789

SCHEMBL5493789

O=C(NC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(C(=O)O)c1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.63
NPC1 O15118 13/20 0.62
RAB9A P51151 12/20 0.62
PAX8 Q06710 1/20 0.62
KLF5 Q13887 1/20 0.62
MAOB P27338 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
PKM P14618 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL6180069 0.99 CCR2 (0.64) CCR2NPC1RAB9APAX8KLF5
SCHEMBL5780599 0.92 RAB9A (0.75) CCR2NPC1RAB9APAX8KLF5
SCHEMBL5493371 0.88 KMT2A (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5493777 0.87 CCR2 (0.65) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL6180924 0.86 KMT2A (0.65) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5495180 0.86 NPC1 (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL14364232 0.84 CCR2 (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5491086 0.81 CCR2 (0.67) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL5487634 0.80 CCR2 (0.64) CCR2NPC1RAB9AMAOBSMN1; SMN2
SCHEMBL6180574 0.79 CCR2 (0.68) CCR2NPC1RAB9AMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885NPC1 686/4885RAB9A 3249/4885

“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.