SCHEMBL22434873

SCHEMBL22434873

CCOc1cc(C)cc(OCCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ MCL1 Q07820 1/20 0.58
▸ FFAR1 O14842 2/20 0.45
▸ FFAR4 Q5NUL3 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PLA2G2A P14555 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL3731595 0.89 L3MBTL1 (0.67) L3MBTL1MCL1LMNATSHR
SCHEMBL20505260 0.85 MCL1 (0.53) L3MBTL1MCL1FFAR1FFAR4LMNA
SCHEMBL24136195 0.83 L3MBTL1 (0.61) L3MBTL1FFAR1FFAR4LMNAMAPK1
SCHEMBL19043148 0.82 L3MBTL1 (0.72) L3MBTL1MCL1FFAR1FFAR4LMNA
SCHEMBL2280556 0.80 TSHR (0.57) L3MBTL1MCL1FFAR1FFAR4TSHR
SCHEMBL2970581 0.79 NQO1 (0.52) TSHRNPC1PTGS2
SCHEMBL15048513 0.79 L3MBTL1 (0.53) L3MBTL1MCL1FFAR1FFAR4TSHR
SCHEMBL22578056 0.78 MCL1 (0.61) L3MBTL1MCL1FFAR1FFAR4LMNA
SCHEMBL31302989 0.76 L3MBTL1 (0.64) L3MBTL1MCL1LMNAMAPK1KDM4E
SCHEMBL2777259 0.76 L3MBTL1 (0.64) L3MBTL1MCL1LMNAMAPK1KDM4E

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 L3MBTL1 4704/4885MCL1 3540/4885FFAR1 119/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 L3MBTL1 4704/4885MCL1 3540/4885FFAR1 119/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 L3MBTL1 4704/4885MCL1 3540/4885FFAR1 119/4885

“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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