SCHEMBL4536908

SCHEMBL4536908

O=C(Cl)c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
TYK2 P29597 1/20 0.55
RORC P51449 10/20 0.46
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 3/20 0.42
PPARG P37231 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 2/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8447031 0.88 ALDH1A1 (0.48) ALDH1A1TYK2SMN1; SMN2KDM4EHSD17B10
SCHEMBL784920 0.85 TYK2 (0.55) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL18713609 0.85 TYK2 (0.55) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL5463408 0.83 TYK2 (0.54) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL9635722 0.83 TYK2 (0.54) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL9525419 0.83 TYK2 (0.54) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL29932942 0.83 TYK2 (0.54) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL476764 0.81 CES2 (0.48) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL25049814 0.81 TYK2 (0.48) ALDH1A1TYK2RORCCYP3A4CYP2C9
SCHEMBL18671762 0.80 TYK2 (0.51) ALDH1A1TYK2RORCCYP3A4CYP2C9

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026107406-A1 p53 HETEROBIFUNCTIONAL CONJUGATES AND USES THEREOF Design Therapeutics, Inc. (US) 2026-05-21 WO disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3256450-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-3242878-B1 BICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2020-10-14 EP disclosed
US-10435402-B2 Bicyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2019-10-08 US disclosed
EP-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
EP-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
CN-105683157-B Sulfonamides as sodium channel modulators 沃泰克斯药物股份有限公司 2019-07-19 CN disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 EP disclosed
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 EP disclosed
WO-2014026327-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014026328-A1 3-CYCLOHEXENYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028589-A2 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
US-20140038942-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-02-06 US disclosed
EP-2638014-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR ACTIVITY AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2013-09-18 EP disclosed
WO-2012106995-A1 RORGAMMAT INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-08-16 WO disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-10435402-B2 Bicyclic compounds, compositions and medicinal applications thereof RORA, RORB, RORC ALDH1A1 1409/4885TYK2 2106/4885RORC 3/4885
US-20140038942-A1 RORgammaT INHIBITORS RORB, RORC, RORA ALDH1A1 858/4885TYK2 543/4885RORC 2/4885

“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.