SCHEMBL605148

SCHEMBL605148

CC(C)(C)OC(=O)NC1C=CC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.53
NFKB2 Q00653 5/20 0.53
RELA Q04206 5/20 0.53
BTK Q06187 1/20 0.48
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
CTSK P43235 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL1078254 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL2137399 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4274302 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL12951153 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL4951462 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL605621 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL5270119 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL605147 1.00 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL15215795 0.87 NFKB1 (0.53) NFKB1NFKB2RELABTKKDM1A
SCHEMBL19337828 0.86 NFKB1 (0.51) NFKB1NFKB2RELABTKKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed
EP-2834234-B1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-2875023-B1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2017-04-05 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
US-9024017-B2 Octahydro-cyclopentapyrrolyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 US disclosed
US-20140024646-A1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (US) 2014-01-23 US disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-6252112-B1 MIBCROBIAL HYDROLYSIS OF THE TITLE COMPOUND DERIVATIVE USING ENZYME HAVING N-ACETYLAMINO-ALCOHOL HYDROLASE OR PENICILLIN G ACYLASE ACTIVITY WITH SUBSEQUENT ACYLATION LONZA A.G., (CH) 2001-06-26 US disclosed
WO-2001001569-A2 PROCESS FOR PREPARING (-)-(1S,4R) N-PROTECTED 4-AMINO-2-CYCLOPENTENE-1-CARBOXYLATE ESTERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO disclosed
US-6156893-A Process for the preparation of (1S,4R)- or (1R,4S)- 4-(2-amino-6-chloro-9H-purin-9-yl)-2-cyclopentene-1-methanol LONZA A.G. (CH) 2000-12-05 US disclosed
US-6147254-A Process for resolving mixtures of carbocyclic stereoisomers GLAXO WELLCOME INC. (US) 2000-11-14 US disclosed
US-6137007-A CHEMICAL INTERMEDIATES FOR NUCLEOSIDE, 4-2-(AMINO-6-CHLORO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL, WHICH IS AN INTERMEDIATE FOR 6-(CYCLOPROPYLAMINO)-DERIVATIVE LONZA AG (CH) 2000-10-24 US disclosed
EP-0946496-A2 PROCESS FOR RESOLVING MIXTURES OF CARBOCYCLIC STEREOISOMERS GLAXO GROUP LIMITED (GB) 1999-10-06 EP disclosed
CN-1201794-A Process for the preparation of (1S,4R) -or (1R,4S) -4- (2-amino-6-chloro-9H-purin-9-yl) -2-cyclopentene-1-methanol or salts thereof LONZA AG (CH) 1998-12-16 CN disclosed
WO-1998024741-A2 PROCESS FOR RESOLVING MIXTURES OF CARBOCYCLIC STEREOISOMERS GLAXO GROUP LIMITED (GB) 1998-06-11 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 NFKB1 2513/4885NFKB2 3299/4885RELA 2806/4885
US-20140024646-A1 OCTAHYDRO-CYCLOPENTAPYRROLYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 NFKB1 594/4885NFKB2 587/4885RELA 610/4885

“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.