SCHEMBL17845237

SCHEMBL17845237

Cc1ccc(C(N)=O)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
CASP1 P29466 2/20 0.41
FFAR1 O14842 1/20 0.40
PARP1 P09874 3/20 0.40
FER P16591 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL4640154 0.85 GRM2 (0.44) GRM2CASP1FFAR1PARP1FER
SCHEMBL211052 0.83 CSNK2A1 (0.50) GRM2FFAR1KDM4EALDH1A1GAA
SCHEMBL8670727 0.83 KDM4E (0.45) FFAR1KDM4EALDH1A1GAAHPGD
SCHEMBL6814562 0.79 KDM4E (0.46) CASP1KDM4EALDH1A1GAAHPGD
SCHEMBL12503762 0.79 PARP15 (0.43) CASP1PARP1
SCHEMBL15779058 0.79 GAA (0.51) KDM4EALDH1A1GAAHPGD
SCHEMBL5469283 0.78 DGAT1 (0.55) CASP1PARP1KDM4EALDH1A1HPGD
SCHEMBL17099949 0.78 CES2 (0.42) CASP1PARP1ALDH1A1
SCHEMBL17099927 0.78 ADRA1D (0.49) CASP1PARP1KDM4EALDH1A1GAA
SCHEMBL3820046 0.76 ALDH1A1 (0.46) CASP1KDM4EALDH1A1GAAHPGD

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
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-08-25 US disclosed
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-07-04 US disclosed
US-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
EP-3233836-B1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RES & DEV (FR) 2019-01-30 EP disclosed
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 US disclosed
EP-3233836-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) Galderma Research & Development (FR) 2017-10-25 EP disclosed
WO-2016097394-A1 BICYCLIC SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO disclosed
WO-2016097391-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 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 (4 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-10246440-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR γ (T)) RORA, RORB, RORC GRM2 2256/4885CASP1 1702/4885FFAR1 52/4885
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC GRM2 2261/4885CASP1 1763/4885FFAR1 55/4885
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC GRM2 2261/4885CASP1 1763/4885FFAR1 55/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC GRM2 2261/4885CASP1 1763/4885FFAR1 55/4885

“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.