SCHEMBL3885776

SCHEMBL3885776

CC(=O)ONC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
P2RX1 P51575 1/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 3/20 0.56
CES2 O00748 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 1/20 0.54
KCNK3 O14649 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
KCNK9 Q9NPC2 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL1972320 0.84 NPSR1 (0.68) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL27820148 0.81 GAA (0.61) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL1972781 0.81 ALDH1A1 (0.63) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL14045943 0.80 NPSR1 (0.61) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL29286689 0.79 LMNA (0.72) NPSR1ALDH1A1P2RX1LMNAPTGS1
SCHEMBL30137430 0.79 NPSR1 (0.69) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL29646460 0.79 GAA (0.68) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL1127884 0.79 GAA (0.68) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL1417591 0.79 NPSR1 (0.69) NPSR1ALDH1A1POLBP2RX1LMNA
SCHEMBL27836968 0.78 NPSR1 (0.52) NPSR1ALDH1A1POLBP2RX1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391931-A A method of treating liver fibrosis PFIZER LTD 2013-11-13 CN disclosed
CN-102153539-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP 2011-08-17 CN 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
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP 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
CN-1741994-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP (US) 2006-03-01 CN disclosed
WO-2005079496-A2 SUBSTITUTED BICYCLOALKYLAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
EP-1343751-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed
WO-2002060859-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO 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 (3 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-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 NPSR1 298/4885ALDH1A1 1095/4885POLB 1862/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 NPSR1 298/4885ALDH1A1 1095/4885POLB 1862/4885
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 NPSR1 302/4885ALDH1A1 1345/4885POLB 1837/4885

“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.