SCHEMBL5778416

SCHEMBL5778416

CC(C)(C)c1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
UBE2M P61081 3/20 0.45
DCUN1D1 Q96GG9 3/20 0.45
CCR2 P41597 1/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.41
RXFP2 Q8WXD0 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 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
SCHEMBL5495586 0.94 TRPV1 (0.53) TRPV1RAB9ANPC1KMT2AMEN1
SCHEMBL5778417 0.89 CCR2 (0.57) UBE2MDCUN1D1CCR2RAB9ANPC1
SCHEMBL5781994 0.85 RAB9A (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5779958 0.84 NPC1 (0.62) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5778441 0.84 RAB9A (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5783688 0.84 NPC1 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5778507 0.84 KMT2A (0.50) UBE2MDCUN1D1RAB9ANPC1KMT2A
SCHEMBL5781867 0.84 RAB9A (0.61) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5780781 0.84 RAB9A (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL5495090 0.83 MAPT (0.52) TRPV1UBE2MDCUN1D1CCR2RAB9A

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 TRPV1 1124/4885UBE2M 4576/4885DCUN1D1 756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TRPV1 1042/4885UBE2M 4774/4885DCUN1D1 1270/4885

“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.