SCHEMBL2543828

SCHEMBL2543828

O=C(O)c1ccccc1SC1CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 9/20 0.52
GRIK1 P39086 1/20 0.52
GRIA2 P42262 1/20 0.52
HSD17B10 Q99714 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL19617767 0.96 POLB (0.55) POLBALDH1A1GRIK1GRIA2HSD17B10
SCHEMBL1147613 0.95 ALDH1A1 (0.56) POLBALDH1A1GRIK1GRIA2HSD17B10
SCHEMBL25275207 0.93 POLB (0.59) POLBALDH1A1GRIK1GRIA2HSD17B10
SCHEMBL15012867 0.85 GRIK1 (0.52) POLBALDH1A1GRIK1GRIA2HSD17B10
SCHEMBL2538350 0.84 SIRT1 (0.50) POLBALDH1A1GRIK1GRIA2HSD17B10
SCHEMBL2543692 0.80 HSD17B10 (0.51) POLBALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL20505091 0.77 CA12 (0.45) ALDH1A1GRIK1GRIA2CA12CA1
SCHEMBL21939461 0.77 CA2 (0.45) ALDH1A1GRIK1GRIA2CA12CA1
SCHEMBL1018224 0.77 ALDH1A1 (0.51) POLBALDH1A1HSD17B10KMT2ATDP1
SCHEMBL20495594 0.76 MAOA (0.44) ALDH1A1HSD17B10CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
EP-3458447-B1 PIPERAZINYL METHANONE NAAA INHIBITORS UNIV CALIFORNIA (US) 2023-11-29 EP disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-10556892-B2 Piperazinyl methanone NAAA inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-11 US disclosed
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-06-13 US disclosed
EP-3458447-A1 PIPERAZINYL METHANONE NAAA INHIBITORS The Regents of The University of California (US) 2019-03-27 EP disclosed
EP-3377483-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2018-09-26 EP disclosed
WO-2017201103-A1 PIPERAZINYL METHANONE NAAA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 WO disclosed
US-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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 (9 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 POLB 3094/4885ALDH1A1 575/4885GRIK1 1868/4885
US-20190177313-A1 PIPERZINYL METHANONE NAAA INHIBITORS NAAA, NAA15, NAA50 POLB 2083/4885ALDH1A1 1871/4885GRIK1 140/4885
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 POLB 3255/4885ALDH1A1 761/4885GRIK1 966/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 POLB 3255/4885ALDH1A1 761/4885GRIK1 966/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 POLB 3141/4885ALDH1A1 527/4885GRIK1 1830/4885
US-10556892-B2 Piperazinyl methanone NAAA inhibitors NAAA, NAA50, NAA15 POLB 1223/4885ALDH1A1 2173/4885GRIK1 257/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 POLB 3255/4885ALDH1A1 761/4885GRIK1 966/4885
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 POLB 3662/4885ALDH1A1 1597/4885GRIK1 4037/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 POLB 3255/4885ALDH1A1 761/4885GRIK1 966/4885

“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.