SCHEMBL5801948

SCHEMBL5801948

CSc1ccc2c(c1)cc(C)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
BRD4 O60885 1/20 0.48
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ACLY P53396 2/20 0.42
PPARD Q03181 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
SRC P12931 1/20 0.41
FGFR1 P11362 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 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
SCHEMBL6117267 0.85 CA12 (0.55) HTR6ACLYMAPTALDH1A1CA12
SCHEMBL2925787 0.83 CCR2 (0.52) HTR6PPARGPPARAACLYPPARD
SCHEMBL3565182 0.83 PPARG (0.61) BRD4PPARGPPARAGAAACLY
SCHEMBL2954808 0.81 HDAC3 (0.47) HTR6PPARGPPARAPPARDMAPT
SCHEMBL3563271 0.81 CA12 (0.56) HTR6BRD4PPARGPPARAHPGD
SCHEMBL3563978 0.81 BRD4 (0.49) HTR6BRD4PPARGPPARAACLY
SCHEMBL12968247 0.81 BRD4 (0.49) HTR6BRD4PPARGPPARAGAA
SCHEMBL3560737 0.81 PTGDR2 (0.53) HTR6BRD4PPARGPPARAACLY
SCHEMBL6383467 0.81 HTR6 (0.58) HTR6BRD4PPARGPPARAGAA
SCHEMBL3562156 0.81 PPARG (0.61) HTR6BRD4PPARGPPARAACLY

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-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R HTR6 873/4885BRD4 1371/4885PPARG 516/4885

“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.