SCHEMBL2994541

SCHEMBL2994541

NC(=O)Nc1[c]cc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
CHEK1 O14757 1/20 0.45
TRPV1 Q8NER1 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK8 P45983 1/20 0.39
FAAH O00519 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
DYRK1A Q13627 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL686716 0.79 EPHX2 (0.43) EPHX2TRPV1KMT2AMAPTFAAH
SCHEMBL2991244 0.77 KIF11 (0.51) EPHX2KMT2A
SCHEMBL2993681 0.76 L3MBTL1 (0.40) EPHX2KMT2AMAPTHSD17B10KDM4E
SCHEMBL169453 0.76 EPHX2 (0.73) EPHX2TRPV1KMT2AMAPTHSD17B10
Hydrochloric Acid SCHEMBL30367847 0.75 EPHX2 (0.71) EPHX2TRPV1KMT2AMAPTHSD17B10
SCHEMBL3884988 0.74 ALDH1A1 (0.52) KMT2AMAPTHSD17B10MEN1GAA
SCHEMBL21268404 0.72 EPHX2 (0.45) EPHX2TRPV1KMT2AMAPTKDM4E
SCHEMBL2994326 0.72 LMNA (0.41) EPHX2KMT2AMAPTHSD17B10MEN1
SCHEMBL9463562 0.72 MAPT (0.38) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL2993188 0.70 PEPD (0.35) KMT2AMAPTKDM4EMEN1GAA

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
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 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-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 EPHX2 2297/4885CHEK1 4531/4885TRPV1 788/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 EPHX2 2837/4885CHEK1 3752/4885TRPV1 1179/4885

“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.