SCHEMBL5493767

SCHEMBL5493767

O=C(O)COc1ccc(NC(=O)NC(=O)c2ccc3c(c2)OCCO3)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
POLB P06746 3/20 0.62
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
MAPT P10636 6/20 0.61
CCR2 P41597 3/20 0.61
MAOB P27338 5/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5491052 0.90 SMN1; SMN2 (0.60) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL6180808 0.87 CCR2 (0.62) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL5492254 0.86 SMN1; SMN2 (0.54) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL5497567 0.85 CCR2 (0.67) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL6184191 0.82 CCR2 (0.67) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL6183958 0.82 CCR2 (0.61) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL6180574 0.81 CCR2 (0.68) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL5491086 0.80 CCR2 (0.67) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL5489348 0.80 CCR2 (0.69) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL5489349 0.80 RAB9A (0.71) SMN1; SMN2POLBRAB9ANPC1MAPT

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 SMN1; SMN2 3219/4885POLB 3025/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SMN1; SMN2 3141/4885POLB 3224/4885RAB9A 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.