SCHEMBL21939102

SCHEMBL21939102

CCOc1c(C(=O)O)sc(C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ BCL2L1 Q07817 3/20 0.34
▸ MCL1 Q07820 3/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ BCL2 P10415 2/20 0.33
▸ BAD Q92934 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL22066869 0.85 HTT (0.42) ALDH1A1HPGDTSHRKMT2AGAA
SCHEMBL14637700 0.71 FHIT (0.51) ALDH1A1HPGDTSHRKMT2AGAA
SCHEMBL1060667 0.69 ALDH1A1 (0.39) ALDH1A1HPGDTSHRHSD17B10RAB9A
SCHEMBL1062649 0.68 ALDH1A1 (0.40) ALDH1A1HPGDTSHRGAAHSD17B10
SCHEMBL28682112 0.68 GAA (0.44) ALDH1A1HPGDTSHRKMT2AGAA
SCHEMBL6927636 0.67 ALDH1A1 (0.37) ALDH1A1HPGDTSHRKMT2AGAA
SCHEMBL13868005 0.67 PTPN1 (0.56) KMT2APTPN1KDM4E
SCHEMBL17173230 0.66 MCL1 (0.48) ALDH1A1KMT2AGAAPTPN1BCL2L1
SCHEMBL15697532 0.66 PTPN2 (0.56) ALDH1A1KMT2AGAAPTPN1BCL2L1
SCHEMBL9367169 0.64 ALDH1A1 (0.40) ALDH1A1HPGDTSHRHSD17B10PTPN1

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
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
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
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 — — US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 — — EP disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 — — EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 — — EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 — — US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 — — 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 (7 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 ALDH1A1 575/4885HPGD 283/4885TSHR 494/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 527/4885HPGD 307/4885TSHR 497/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885HPGD 135/4885TSHR 654/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885HPGD 135/4885TSHR 654/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885HPGD 299/4885TSHR 704/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ALDH1A1 418/4885HPGD 226/4885TSHR 1074/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 ALDH1A1 477/4885HPGD 299/4885TSHR 704/4885

“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.

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