SCHEMBL5777680

SCHEMBL5777680

COc1ccc(NC(=O)N(C=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
MAPT P10636 8/20 0.56
KMT2A Q03164 8/20 0.56
ALDH1A1 P00352 7/20 0.56
MEN1 O00255 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX12 P18054 2/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
POLB P06746 1/20 0.49
EPHX2 P34913 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
SCHEMBL5783688 0.87 NPC1 (0.57) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5779189 0.86 EPHX2 (0.50) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5781561 0.85 MAPT (0.64) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5780935 0.85 NPC1 (0.56) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5781354 0.85 RAB9A (0.59) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5781109 0.85 KMT2A (0.59) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5782436 0.85 EPHX2 (0.49) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5778441 0.84 RAB9A (0.54) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5780102 0.84 CA12 (0.46) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5780677 0.83 FAAH (0.48) NPC1RAB9AMAPTKMT2AALDH1A1

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
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
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 NPC1 332/4885RAB9A 3198/4885MAPT 2071/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885MAPT 1806/4885

“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.