SCHEMBL5778760

SCHEMBL5778760

Cc1ccc(Cl)cc1NC(=O)N(C=O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.54
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
CASP3 P42574 3/20 0.49
SENP7 Q9BQF6 3/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GRIK1 P39086 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
IDH1 O75874 1/20 0.41

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
SCHEMBL5495103 0.94 MAPT (0.53) ALPINPC1RAB9ACASP3SENP7
SCHEMBL5782337 0.88 MAPT (0.52) ALPINPC1RAB9ACASP3SENP7
SCHEMBL5778757 0.87 ALDH1A1 (0.49) ALPINPC1RAB9ACASP3SENP7
SCHEMBL5780348 0.87 NPC1 (0.58) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL5781354 0.83 RAB9A (0.59) NPC1RAB9AALDH1A1MAPTTP53
SCHEMBL5780186 0.83 TOP1 (0.53) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL5781538 0.83 NPC1 (0.60) NPC1RAB9ACASP3SENP7ALDH1A1
SCHEMBL5779066 0.81 MAOB (0.47) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL5496362 0.80 MAPK11 (0.44) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL5487868 0.80 NPC1 (0.52) NPC1RAB9AALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 ALPI 1316/4885NPC1 332/4885RAB9A 3198/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ALPI 1261/4885NPC1 689/4885RAB9A 3041/4885

“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.