SCHEMBL5488751

SCHEMBL5488751

O=CN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
UBE2M P61081 3/20 0.44
DCUN1D1 Q96GG9 3/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
TRPV1 Q8NER1 4/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
AR P10275 1/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL5782111 0.94 UBE2M (0.50) UBE2MDCUN1D1RAB9ANPC1SMN1; SMN2
SCHEMBL5495228 0.92 TRPV1 (0.44) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL5493794 0.89 KDR (0.48) MAOBRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL5497638 0.89 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL5782454 0.85 NPC1 (0.45) UBE2MDCUN1D1RAB9ANPC1SMN1; SMN2
SCHEMBL5492133 0.85 TRPV1 (0.54) MAOBRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL6769886 0.83 TRPV1 (0.59) RAB9ANPC1SMN1; SMN2TRPV1CYP1A2
SCHEMBL5487282 0.83 TRPV1 (0.46) UBE2MDCUN1D1RAB9ANPC1SMN1; SMN2
SCHEMBL5778449 0.82 KDR (0.48) MAOBRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL5781087 0.82 NPC1 (0.47) UBE2MDCUN1D1RAB9ANPC1SMN1; SMN2

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 MAOB 2897/4885UBE2M 4783/4885DCUN1D1 1510/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAOB 3302/4885UBE2M 4733/4885DCUN1D1 1488/4885

“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.