SCHEMBL658742

SCHEMBL658742

O=C(O)CC(CC(=O)O)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
CYP26A1 O43174 2/20 0.45
HTT P42858 3/20 0.44
MIF P14174 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CPA1 P15085 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
CPB1 P15086 1/20 0.40
CPA3 P15088 1/20 0.40
CPB2 Q96IY4 1/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL30437060 1.00 GABBR2 (0.48) GABBR2GABBR1CYP26A1HTTMIF
SCHEMBL657210 0.90 GABBR2 (0.41) GABBR2GABBR1CYP26A1HTTMIF
SCHEMBL7763294 0.84 CYP1A2 (0.46) GABBR2GABBR1CYP26A1HTTCPA1
SCHEMBL7763289 0.84 CYP1A2 (0.46) GABBR2GABBR1CYP26A1HTTCPA1
SCHEMBL8771210 0.82 SLC18A3 (0.46) GABBR2GABBR1CYP26A1HTTCPA1
SCHEMBL27809268 0.82 CYP26A1 (0.44) GABBR2GABBR1CYP26A1HTTCPA1
SCHEMBL11072796 0.82 HTT (0.42) GABBR2GABBR1CYP26A1HTTPOLB
SCHEMBL1613850 0.81 HTT (0.49) GABBR2GABBR1CYP26A1HTTL3MBTL1
SCHEMBL5720930 0.81 CYP26A1 (0.46) GABBR2GABBR1CYP26A1HTTCPA1
SCHEMBL31295224 0.81 CYP26A1 (0.46) GABBR2GABBR1CYP26A1HTTCPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784655-B1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-04 EP disclosed
EP-3784655-B1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-04 EP disclosed
CN-112204007-B Process for preparing 2- (1- (tert-butoxycarbonyl) piperidin-4-yl) benzoic acid 施万生物制药研发IP有限责任公司 2023-06-20 CN disclosed
EP-3784655-A1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID Theravance Biopharma R&D IP, LLC (US) 2021-03-03 EP disclosed
CN-112204007-A Process for the preparation of 2- (1- (tert-butoxycarbonyl) piperidin-4-yl) benzoic acid 施万生物制药研发IP有限责任公司 2021-01-08 CN disclosed
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-05-05 US disclosed
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-05-05 US disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid BDNF, GABRE, NPY5R GABBR2 10/4885GABBR1 7/4885CYP26A1 189/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB GABBR2 4480/4885GABBR1 4561/4885CYP26A1 4700/4885

“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.