SCHEMBL5777480

SCHEMBL5777480

CC(C)Oc1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.58
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL5496285 0.94 NPC1 (0.51) CCR2NPC1RAB9AKMT2AALDH1A1
SCHEMBL5782160 0.88 CASP3 (0.51) CCR2NPC1RAB9AKMT2AALDH1A1
SCHEMBL5781389 0.87 RAB9A (0.50) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5778402 0.85 KMT2A (0.47) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5780016 0.85 NPC1 (0.47) CCR2NPC1RAB9AKMT2AALDH1A1
SCHEMBL5780015 0.84 CCR2 (0.52) CCR2NPC1RAB9AKMT2AALDH1A1
SCHEMBL5781994 0.83 RAB9A (0.62) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5779958 0.83 NPC1 (0.62) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5778441 0.82 RAB9A (0.54) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5783688 0.82 NPC1 (0.57) NPC1RAB9AKMT2AALDH1A1SMN1; 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 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 CCR2 3/4885NPC1 332/4885RAB9A 3198/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885NPC1 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.