SCHEMBL2991053

SCHEMBL2991053

CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF2BP2 Q9Y6M1 1/20 0.46
KCNK2 O95069 1/20 0.44
KCNK10 P57789 1/20 0.44
CCR2 P41597 5/20 0.44
RXFP1 Q9HBX9 1/20 0.42
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
GCGR P47871 3/20 0.39
HIF1A Q16665 1/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL5436646 0.91 CCR2 (0.44) IGF2BP2KCNK2KCNK10CCR2RXFP1
SCHEMBL7384811 0.86 MAPK14 (0.51) IGF2BP2KCNK2KCNK10CCR2RXFP1
SCHEMBL687475 0.85 IGF2BP2 (0.58) IGF2BP2KCNK2KCNK10RXFP1KCNQ3
SCHEMBL2995691 0.84 CCR2 (0.58) CCR2RXFP1POLB
SCHEMBL5444022 0.83 IGF2BP2 (0.49) IGF2BP2KCNK2KCNK10GCGRATM
SCHEMBL17295021 0.82 IGF2BP2 (0.46) IGF2BP2KCNK2KCNK10RXFP1KCNQ3
SCHEMBL7668964 0.81 POLB (0.43) IGF2BP2KCNK2KCNK10RXFP1KCNQ3
SCHEMBL27529466 0.80 CCR2 (0.42) IGF2BP2CCR2EPHX2POLB
SCHEMBL4839187 0.80 CCR2 (0.46) CCR2RXFP1ALDH1A1POLB
SCHEMBL27529465 0.80 CCR2 (0.42) IGF2BP2CCR2EPHX2POLB

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 11 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-20070073064-A1 Method for producing aminopyrrolidine derivatives and intermediate compounds TEIJIN PHARMA LIMITED (JP) 2007-03-29 US disclosed
US-20070073064-A1 Method for producing aminopyrrolidine derivatives and intermediate compounds TEIJIN PHARMA LIMITED (JP) 2007-03-29 US disclosed
EP-1483241-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2006-12-13 EP disclosed
CN-1863769-A Process for preparing aminopyrrolidine derivatives and intermediate compounds TEIJIN PHARMA LTD (JP) 2006-11-15 CN disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
EP-1676837-A1 PROCESS FOR PRODUCING AMINOPYRROLIDINE DERIVATIVE AND INTERMEDIATE COMPOUND Teijin Pharma Limited (JP) 2006-07-05 EP disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
EP-1483241-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2004-12-08 EP disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
WO-2003075853-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-18 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-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 IGF2BP2 2608/4885KCNK2 3281/4885KCNK10 3128/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 IGF2BP2 2588/4885KCNK2 2932/4885KCNK10 2768/4885
US-20070073064-A1 Method for producing aminopyrrolidine derivatives and intermediate compounds ACKR3, CCR2, CCR5 IGF2BP2 2330/4885KCNK2 2018/4885KCNK10 2642/4885

“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.