SCHEMBL17871778

SCHEMBL17871778

CC(=O)CCc1n[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PPARG P37231 5/20 0.42
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ PMP22 Q01453 1/20 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
SCHEMBL18691011 0.84 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL28000410 0.76 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL4881861 0.76 CTNNB1 (0.47) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL17871939 0.75 KDM4E (0.58) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL28000229 0.74 KDM4E (0.54) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL27381558 0.72 HPGD (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL25229706 0.72 KDM4E (0.55) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL9485787 0.72 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL27945216 0.71 KDM4E (0.54) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL20421204 0.71 KDM4E (0.54) ALDH1A1HPGDHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 — — EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 — — US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 — — US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 — — EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 — — WO 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 (1 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 976/4885HPGD 1011/4885HSD17B10 753/4885

“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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