SCHEMBL17871978

SCHEMBL17871978

O=Cc1c[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HPGD P15428 5/20 0.57
KDM4E B2RXH2 5/20 0.57
HSD17B10 Q99714 4/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2A6 P11509 2/20 0.47
IMPDH2 P12268 1/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 2/20 0.47
PMP22 Q01453 2/20 0.47
GLA P06280 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42

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
SCHEMBL20424739 0.83 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL13592398 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL17871706 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8746137 0.80 CYP2A6 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5403384 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL5814027 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2ACYP1A2
SCHEMBL8746106 0.79 CYP2A6 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3799233 0.78 HPGD (0.60) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL3799234 0.78 HPGD (0.60) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL6015780 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO 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 (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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB ALDH1A1 118/4885HPGD 1037/4885KDM4E 1701/4885
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA ALDH1A1 976/4885HPGD 1011/4885KDM4E 1902/4885

“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.