SCHEMBL5778367

SCHEMBL5778367

O=CN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
CCR2 P41597 1/20 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
AHR P35869 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL5492133 0.93 TRPV1 (0.54) EPHX2TRPV1KMT2ANPC1RAB9A
SCHEMBL5780708 0.91 P2RX4 (0.46) EPHX2TRPV1KMT2ANPC1RAB9A
SCHEMBL5778417 0.88 CCR2 (0.57) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5781109 0.87 KMT2A (0.59) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5783688 0.87 NPC1 (0.57) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6769886 0.86 TRPV1 (0.59) TRPV1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5779189 0.86 EPHX2 (0.50) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5782111 0.85 UBE2M (0.50) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5782454 0.85 NPC1 (0.45) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5780935 0.85 NPC1 (0.56) EPHX2TRPV1KMT2ANPC1RAB9A

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 7 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
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-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 (1 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 EPHX2 1307/4885TRPV1 1124/4885KMT2A 4833/4885

“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.