Sugi Predict

Sugi Predict / Compounds / SCHEMBL1802140

SCHEMBL1802140

SCHEMBL1802140

CC(C)S(=O)(=O)c1cccnc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALOX5AP P20292 3/20 0.34
▸ FEN1 P39748 3/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL20364515 0.81 KDM4E (0.39) TRPV4KDM4EALDH1A1ADRA2AADRA1D
SCHEMBL11971061 0.79 PABPC1 (0.41) TRPV4KDM4EALDH1A1MAPTMAPK1
SCHEMBL4868062 0.78 NFE2L2 (0.43) TRPV4KDM4EADRA2AADRA1DADRA1A
SCHEMBL11970978 0.76 COMT (0.50) TRPV4KDM4EALDH1A1ADRA2AADRA1D
SCHEMBL819451 0.75 MAPK1 (0.62) KDM4EALDH1A1MAPTMAPK1GAA
SCHEMBL18843606 0.74 ALOX5AP (0.42) TRPV4GAATDP1ALOX5APFEN1
SCHEMBL10019198 0.74 TSHR (0.50) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL14008803 0.74 ADRA2A (0.37) TRPV4KDM4EALDH1A1ADRA2AADRA1D
SCHEMBL28157438 0.73 EDNRA (0.47) ALDH1A1ADRA2AADRA1DADRA1AADRA1B
SCHEMBL18960863 0.73 MKNK1 (0.39) KDM4EALDH1A1ADRA2AADRA1DADRA1A

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-2493303-A1 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck Sharp & Dohme Corp. (US) 2012-09-05 — — EP disclosed
US-20120214847-A1 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. (US) 2012-08-23 — — US disclosed
US-20120214847-A1 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. (US) 2012-08-23 — — US disclosed
US-20120214847-A1 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. (US) 2012-08-23 — — US disclosed
WO-2011053574-A1 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. (US) 2011-05-05 — — 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-20120214847-A1 2-[1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 TRPV4 594/4885KDM4E 2489/4885ALDH1A1 1460/4885

“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.