SCHEMBL23612416

SCHEMBL23612416

CC(C)c1ccc2c(C(=O)CS(C)(=O)=O)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
EIF4A3 P38919 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HPGD P15428 1/20 0.38
NR4A2 P43354 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL23612425 0.90 LMNA (0.47) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20436347 0.82 NR4A2 (0.57) MAPTHTR3EHTR3BHTR3AHTR3D
SCHEMBL1558774 0.76 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3723653 0.75 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20436338 0.74 RAB9A (0.69) MAPTNR4A2LMNARAB9AKDM4E
SCHEMBL20424866 0.70 ALDH1A1 (0.49) MAPTHPGDLMNARAB9AKDM4E
SCHEMBL20355291 0.70 KIF11 (0.42) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29559668 0.70 KIF11 (0.42) MAPTPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL21008475 0.69 HTR1D (0.53) MAPTEIF4A3HTR1DCFTRTP53
SCHEMBL1285395 0.69 GABRA1 (0.60) MAPTHPGDKDM4EALDH1A1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 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 (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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB MAPT 3199/4885PRKAB2 855/4885PRKAG1 379/4885

“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.