SCHEMBL22434799

SCHEMBL22434799

CCOc1cc(C)sc1C(=O)OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 7/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ NFKB1 P19838 2/20 0.36

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
SCHEMBL21939130 0.81 TSHR (0.45) GLAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL21939097 0.76 TSHR (0.49) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23117770 0.75 KMT2A (0.47) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL11627365 0.75 L3MBTL1 (0.43) GLAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL24496665 0.75 KMT2A (0.68) GLAL3MBTL1KMT2ANPC1RAB9A
SCHEMBL22434800 0.74 HTR7 (0.36) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22434627 0.74 LMNA (0.43) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21939094 0.72 MEN1 (0.45) GLAL3MBTL1KMT2ARAB9AALDH1A1
SCHEMBL2028240 0.71 ALOX15 (0.61) GLAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21939091 0.70 NPSR1 (0.40) GLAL3MBTL1SMN1; SMN2HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 — — EP disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 — — 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 (3 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 GLA 3970/4885L3MBTL1 4704/4885KMT2A 2262/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 GLA 3970/4885L3MBTL1 4704/4885KMT2A 2262/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 GLA 3970/4885L3MBTL1 4704/4885KMT2A 2262/4885

“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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