SCHEMBL5487282

SCHEMBL5487282

O=CN(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
IDH1 O75874 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR35 Q9HC97 1/20 0.38
P2RX1 P51575 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5492508 0.94 TRPV1 (0.43) TRPV1MAPTPOLBLMNATP53
SCHEMBL5780708 0.93 P2RX4 (0.46) TRPV1MAPTPOLBLMNAUBE2M
SCHEMBL5492133 0.91 TRPV1 (0.54) TRPV1MAPTPOLBCYP1A2CYP2C19
SCHEMBL5495090 0.90 MAPT (0.52) TRPV1MAPTPOLBLMNATP53
SCHEMBL6769886 0.86 TRPV1 (0.59) TRPV1MAPTPOLBCYP1A2CYP2C19
SCHEMBL5495228 0.84 TRPV1 (0.44) TRPV1MAPTPOLBTP53CYP1A2
SCHEMBL5778367 0.84 EPHX2 (0.46) TRPV1MAPTPOLBLMNAMEN1
SCHEMBL5778417 0.84 CCR2 (0.57) MAPTPOLBLMNATP53UBE2M
SCHEMBL5488751 0.83 MAOB (0.45) TRPV1MAPTPOLBTP53UBE2M
SCHEMBL5487223 0.82 MAOB (0.56) TRPV1MAPTPOLBLMNATP53

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-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 US claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TRPV1 1005/4885MAPT 2283/4885POLB 3025/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TRPV1 977/4885MAPT 1663/4885POLB 3224/4885

“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.