SCHEMBL2032041

SCHEMBL2032041

O=C(O)C1CCCN1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 3/20 0.65
PTGER4 P35408 2/20 0.55
TEAD1 P28347 4/20 0.54
PHGDH O43175 1/20 0.48
RORC P51449 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL21618307 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EPTGER4TEAD1PHGDH
SCHEMBL1818801 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EPTGER4TEAD1PHGDH
SCHEMBL20791371 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EPTGER4TEAD1SMN1; SMN2
SCHEMBL28107119 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EPTGER4TEAD1SMN1; SMN2
SCHEMBL2027416 0.86 KDM4E (0.52) ALDH1A1KDM4EPTGER4SMN1; SMN2HRH3
SCHEMBL1816846 0.86 KDM4E (0.52) ALDH1A1KDM4EPTGER4SMN1; SMN2HRH3
SCHEMBL17320112 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL1009407 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL1817113 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EPTGER4SMN1; SMN2SIGMAR1
SCHEMBL2027597 0.84 IDO1 (0.53) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C19

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718582-B2 (R)-4-(1-(1-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxamide)cyclopropyl)-benzoic acid as EP4 receptor antagonist ROTTAPHARM BIOTECH S.R.L. (IT) 2023-08-08 US disclosed
US-20210130290-A1 (R)-4-(1-(1-(4-(TRIFLUOROMETHYL)BENZYL)PYRROLIDINE-2-CARBOXAMIDE)CYCLOPROPYL)-BENZOIC ACID AS EP4 RECEPTOR ANTAGONIST ROTTAPHARM BIOTECH S.R.L. (IT) 2021-05-06 US disclosed
WO-2020012305-A1 (R)-4-(1-(1-(4-(TRIFLUOROMETHYL)BENZYL)PYRROLIDINE-2-CARBOXAMIDE)CYCLOPROPYL)-BENZOIC ACID AS EP4 RECEPTOR ANTAGONIST ROTTAPHARM BIOTECH S.R.L. (IT) 2020-01-16 WO disclosed
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 US disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-8933201-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-01-13 US disclosed
WO-2013166438-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-11-07 WO disclosed
US-20110144037-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-06-16 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
CN-101512338-A Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use thereof MCKEE PATRICK A (US) 2009-08-19 CN disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
CN-101123962-A Inducible nitric oxide synthase dimerization inhibitors KALYPSYS INC (US) 2008-02-13 CN disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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 (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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 ALDH1A1 2795/4885KDM4E 1567/4885PTGER4 146/4885
US-11718582-B2 (R)-4-(1-(1-(4-(trifluoromethyl)benzyl)pyrrolidine-2-carboxamide)cyclopropyl)-benzoic acid as EP4 receptor antagonist PTGER4, PTGER1, PTGER2 ALDH1A1 532/4885KDM4E 1538/4885PTGER4 1/4885
US-20210130290-A1 (R)-4-(1-(1-(4-(TRIFLUOROMETHYL)BENZYL)PYRROLIDINE-2-CARBOXAMIDE)CYCLOPROPYL)-BENZOIC ACID AS EP4 RECEPTOR ANTAGONIST PTGER4, PTGER1, PTGER2 ALDH1A1 532/4885KDM4E 1538/4885PTGER4 1/4885

“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.