SCHEMBL5780708

SCHEMBL5780708

O=CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
CCR2 P41597 1/20 0.44
UBE2M P61081 7/20 0.42
DCUN1D1 Q96GG9 7/20 0.42
EPHX2 P34913 1/20 0.41
RXFP2 Q8WXD0 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL5487282 0.93 TRPV1 (0.46) P2RX4P2RX7CCR2UBE2MDCUN1D1
SCHEMBL5778367 0.91 EPHX2 (0.46) CCR2EPHX2NPC1RAB9AKMT2A
SCHEMBL5778417 0.90 CCR2 (0.57) CCR2UBE2MDCUN1D1RXFP2RXFP1
SCHEMBL5492508 0.87 TRPV1 (0.43) P2RX4P2RX7CCR2UBE2MDCUN1D1
SCHEMBL5783688 0.84 NPC1 (0.57) EPHX2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5492133 0.84 TRPV1 (0.54) EPHX2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5495090 0.84 MAPT (0.52) CCR2UBE2MDCUN1D1RXFP2RXFP1
SCHEMBL5782454 0.83 NPC1 (0.45) UBE2MDCUN1D1EPHX2NPC1RAB9A
SCHEMBL5782111 0.83 UBE2M (0.50) UBE2MDCUN1D1EPHX2NPC1RAB9A
SCHEMBL5779066 0.82 MAOB (0.47) CCR2EPHX2NPC1RAB9AKMT2A

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 6 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-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 P2RX4 3913/4885P2RX7 4273/4885CCR2 3/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 P2RX4 3811/4885P2RX7 3776/4885CCR2 1/4885

“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.