SCHEMBL2642996

SCHEMBL2642996

CCS(=O)(=O)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
HSD17B1 P14061 4/20 0.51
HSD17B2 P37059 4/20 0.51
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TSHR P16473 2/20 0.42
MMP2 P08253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL29650282 1.00 PSIP1 (0.56) PSIP1HSD17B1HSD17B2ALDH1A1CYP3A4
SCHEMBL11331630 0.86 HSD17B1 (0.47) PSIP1HSD17B1HSD17B2ALDH1A1CYP3A4
SCHEMBL17263850 0.84 PSIP1 (0.68) PSIP1ALDH1A1CYP3A4CA2LMNA
SCHEMBL31385343 0.83 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1CYP3A4CA2
SCHEMBL10085540 0.82 HSD17B2 (0.46) HSD17B1HSD17B2ALDH1A1CYP3A4CA2
Phenol SCHEMBL28291911 0.81 PSIP1 (0.78) PSIP1ALDH1A1CA2CA12CA9
SCHEMBL11693054 0.81 ESR1 (0.48) HSD17B1HSD17B2CA2CA12CA9
SCHEMBL9162922 0.80 CA2 (0.48) HSD17B1HSD17B2ALDH1A1CYP3A4CA2
SCHEMBL644484 0.80 MEN1 (0.53) PSIP1HSD17B1HSD17B2CYP3A4CYP1A2
SCHEMBL8132585 0.79 PSIP1 (0.56) PSIP1ALDH1A1CA2HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099654-A1 SYNTHETIC METHOD University Court of The University of St Andrews (GB) 2016-12-07 EP claimed
WO-2015114323-A1 SYNTHETIC METHOD UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2015-08-06 WO claimed
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
EP-3464292-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2022-09-21 EP disclosed
CN-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed
US-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
US-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-02-23 US disclosed
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-02-23 US disclosed
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
CN-101094847-A Aryloxy-substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-12-26 CN disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 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 (5 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-20210340154-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PSIP1 4696/4885HSD17B1 225/4885HSD17B2 289/4885
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PSIP1 4695/4885HSD17B1 229/4885HSD17B2 285/4885
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PSIP1 4695/4885HSD17B1 229/4885HSD17B2 285/4885
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 PSIP1 4695/4885HSD17B1 229/4885HSD17B2 285/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 PSIP1 3913/4885HSD17B1 2791/4885HSD17B2 2671/4885

“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.