SCHEMBL9526014

SCHEMBL9526014

COc1cc(C)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA3 P07451 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
PTPN1 P18031 2/20 0.41
TPMT P51580 2/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
PTGS2 P35354 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL8928897 0.84 CYP3A4 (0.46) NPSR1HTTALDH1A1LMNAMAPK1
SCHEMBL8928555 0.82 MAPT (0.46) RXFP1ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3067240 0.82 SMN1; SMN2 (0.36) PKMNPSR1RXFP1CA12CA1
SCHEMBL6179820 0.80 DAO (0.44) PKMCA12CA1CA2CA7
SCHEMBL5154511 0.80 MAPT (0.43) PKMCA12CA1CA2CA7
SCHEMBL21939093 0.79 XDH (0.43) PKMNPSR1RXFP1ALDH1A1LMNA
SCHEMBL21939130 0.79 TSHR (0.45) PKMNPSR1RXFP1ALDH1A1KDM4E
SCHEMBL22833208 0.78 LCK (0.47) PKMNPSR1CA12CA1CA2
SCHEMBL8307439 0.78 DAO (0.42) PKMCA12CA1CA2CA7
SCHEMBL18701674 0.78 HTT (0.49) PKMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385043-A1 New derivatives of 4-substituted piperazines FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1990-09-05 EP claimed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
EP-0297697-B1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1993-12-29 EP disclosed
US-4904686-A 3-ALKOXYTHIOPHENE-2-CARBOXAMIDES; CENTRAL NERVOUS SYSTEM DISORDERS LILLY INDUSTRIES LIMITED (GB) 1990-02-27 US disclosed
EP-0297697-A1 Thiophene-2-carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1989-01-04 EP disclosed
US-4352819-A ANTIARRHYTHMIA AGENTS LAEVOSAN-GESELLSCHAFT MBH & CO. KG (AT) 1982-10-05 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 (4 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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL PKM 3527/4885NPSR1 1055/4885RXFP1 930/4885
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 PKM 1961/4885NPSR1 295/4885RXFP1 135/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 PKM 1861/4885NPSR1 341/4885RXFP1 140/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL PKM 3495/4885NPSR1 1080/4885RXFP1 939/4885

“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.