SCHEMBL19639905

SCHEMBL19639905

C[C@H]1COCCN1Cc1n[nH]c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.39
▸ PDPK1 O15530 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ ATR Q13535 3/20 0.35
▸ ATRIP Q8WXE1 3/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ NUDT1 P36639 1/20 0.34

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
SCHEMBL19639907 1.00 GRM2 (0.39) GRM2PDPK1ROCK1AURKBAURKA
SCHEMBL21122478 0.84 PDPK1 (0.41) GRM2PDPK1ROCK1AURKBAURKA
SCHEMBL19639885 0.81 JAK2 (0.42) LRRK2JAK2
SCHEMBL17852293 0.79 RORC (0.48) —
SCHEMBL19639892 0.78 TDP1 (0.39) GRM2PIK3CAPIK3CDMAPK1
SCHEMBL19639890 0.78 TDP1 (0.39) GRM2PIK3CAPIK3CDMAPK1
SCHEMBL19639896 0.73 HSP90AA1 (0.42) LRRK2JAK2MAPK1
SCHEMBL21082938 0.73 ATR (0.41) ATR
SCHEMBL21082939 0.73 ATR (0.41) ATR
SCHEMBL20684526 0.68 RORC (0.46) —

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 6 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 claimed
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 claimed
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
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

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 2256/4885PDPK1 3319/4885ROCK1 2127/4885
US-20170342062-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC GRM2 2261/4885PDPK1 3346/4885ROCK1 2165/4885
US-20190202819-A1 INDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC GRM2 2261/4885PDPK1 3346/4885ROCK1 2165/4885
US-10752617-B2 Indazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC GRM2 2261/4885PDPK1 3346/4885ROCK1 2165/4885

“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.

Send feedback