SCHEMBL5778757

SCHEMBL5778757

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
ALPI P09923 1/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38

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
SCHEMBL5496362 0.94 MAPK11 (0.44) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL5778760 0.87 ALPI (0.54) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL5782436 0.83 EPHX2 (0.49) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5779837 0.83 NPC1 (0.46) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL5495103 0.80 MAPT (0.53) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL5780781 0.80 RAB9A (0.46) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL5781538 0.78 NPC1 (0.60) ALDH1A1HPGDNPC1RAB9APOLB
SCHEMBL5780186 0.78 TOP1 (0.53) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL5783688 0.78 NPC1 (0.57) ALDH1A1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL5497611 0.76 NPC1 (0.46) ALDH1A1HPGDNPC1RAB9APOLB

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 9 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
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US 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 ALDH1A1 2205/4885HPGD 944/4885NPC1 332/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ALDH1A1 2420/4885HPGD 2128/4885NPC1 689/4885

“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.