SCHEMBL5495090

SCHEMBL5495090

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
UBE2M P61081 4/20 0.50
DCUN1D1 Q96GG9 4/20 0.50
IDH1 O75874 1/20 0.49
CCR2 P41597 1/20 0.49
RAB9A P51151 2/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
RXFP2 Q8WXD0 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL5778417 0.94 CCR2 (0.57) MAPTTP53POLBLMNAUBE2M
SCHEMBL5487282 0.90 TRPV1 (0.46) MAPTTP53POLBLMNAUBE2M
SCHEMBL5495586 0.89 TRPV1 (0.53) MAPTLMNAIDH1RAB9ATRPV1
SCHEMBL5492133 0.88 TRPV1 (0.54) MAPTPOLBRAB9ATRPV1NPC1
SCHEMBL5492508 0.86 TRPV1 (0.43) MAPTTP53POLBLMNAUBE2M
SCHEMBL6769886 0.86 TRPV1 (0.59) MAPTPOLBRAB9ATRPV1NPC1
SCHEMBL5495788 0.85 NPC1 (0.45) MAPTTP53RAB9ANPC1MAOB
SCHEMBL5492536 0.85 NPC1 (0.43) MAPTTP53POLBLMNARAB9A
SCHEMBL5495442 0.85 TP53 (0.46) TP53POLBLMNAUBE2MDCUN1D1
SCHEMBL5495228 0.84 TRPV1 (0.44) MAPTTP53POLBRAB9ATRPV1

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-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
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 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 MAPT 2283/4885TP53 3234/4885POLB 3025/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1663/4885TP53 3229/4885POLB 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.