SCHEMBL2027258

SCHEMBL2027258

CCC(=O)OC(C)C(C)Oc1c(C)cc(CCC(=O)c2ccc(SC)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.35
▸ PPARG P37231 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ THRA P10827 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL2032304 0.81 PDE4A (0.39) PPARAPPARGNPC1RAB9AHAO1
SCHEMBL1934452 0.75 PPARA (0.44) PPARAPPARGNPC1RAB9AHAO1
SCHEMBL1933960 0.74 S1PR1 (0.45) PPARAPPARGNPC1RAB9AHAO1
SCHEMBL3937950 0.74 HAO1 (0.42) NPC1RAB9AHAO1L3MBTL1TAS1R3
SCHEMBL1934701 0.73 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL22605372 0.67 PPARA (0.44) PPARAPPARGNPC1RAB9APPARD
SCHEMBL3865193 0.66 NPC1 (0.64) NPC1RAB9AHAO1ABCB1L3MBTL1
SCHEMBL1935077 0.64 PPARG (0.44) PPARAPPARGNPC1RAB9APPARD
SCHEMBL6755453 0.64 HSD17B3 (0.62) HAO1LMNAL3MBTL1TAS1R3TAS1R1
SCHEMBL657144 0.63 NPC1 (0.55) NPC1RAB9AHAO1LMNAL3MBTL1

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
EP-2046715-B1 SUBSTITUTED 1,3-DIPHENYLPROPANE DERIVATIVES, PREPARATIONS AND USES THEREOF GENFIT (FR) 2014-04-16 — — EP claimed
US-8258182-B2 Substituted 1,3-diphenylpropane derivatives, preparations and uses thereof GENFIT (FR) 2012-09-04 — — US claimed
US-20110136888-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof GENFIT (FR) 2011-06-09 — — US claimed
US-20100286276-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof GENFIT (FR) 2010-11-11 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110136888-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof DPP3, DPP4, CYP3A43 PPARA 16/4885PPARG 84/4885NPC1 250/4885
US-20100286276-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof DPP3, DPP8, DPP4 PPARA 11/4885PPARG 56/4885NPC1 90/4885

“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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