SCHEMBL2991244

SCHEMBL2991244

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.51
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR3C2 P08235 1/20 0.40
PTGS1 P23219 3/20 0.38
P2RX1 P51575 1/20 0.38
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 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
SCHEMBL2748592 0.83 DYRK1A (0.44) KIF11EPHX2NPC1RAB9AP2RX1
SCHEMBL7113815 0.83 LMNA (0.43) KIF11EPHX2NPC1RAB9AP2RX1
SCHEMBL5120153 0.80 MAPT (0.50) KIF11EPHX2NPC1RAB9AP2RX1
SCHEMBL2994541 0.77 EPHX2 (0.47) EPHX2KMT2A
SCHEMBL3884988 0.77 ALDH1A1 (0.52) KIF11NPC1NR3C2KMT2A
SCHEMBL4422986 0.76 RXFP1 (0.43) EPHX2NPC1RAB9AP2RX1
SCHEMBL5111352 0.76 NPSR1 (0.44) EPHX2KMT2A
SCHEMBL5111541 0.76 MEN1 (0.48) EPHX2NPC1RAB9AKMT2A
SCHEMBL2989155 0.75 GAA (0.47) KMT2A
SCHEMBL687441 0.75 MAPT (0.52) EPHX2KMT2A

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 KIF11 3299/4885EPHX2 2297/4885NPC1 1069/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 KIF11 3391/4885EPHX2 2837/4885NPC1 1069/4885

“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.