SCHEMBL5778192

SCHEMBL5778192

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
CYP17A1 P05093 2/20 0.45
RORC P51449 3/20 0.44
USP30 Q70CQ3 2/20 0.43
PSMB8 P28062 1/20 0.43
MAPKAPK2 P49137 3/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
MAP4K4 O95819 1/20 0.43
EPHX2 P34913 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42

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
SCHEMBL30884737 1.00 NAMPT (0.49) NAMPTTRPV1CYP17A1RORCUSP30
SCHEMBL1463135 0.89 NAMPT (0.47) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL31363779 0.88 NAMPT (0.51) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL3573330 0.86 SMN1; SMN2 (0.47) TRPV1USP30CYP2C9SLC22A6SLC22A8
SCHEMBL15600325 0.86 GAA (0.43) NAMPTTRPV1RORCUSP30CYP2C9
SCHEMBL20934804 0.83 NAMPT (0.47) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL25890219 0.83 GHSR (0.44) TRPV1USP30CYP2C9SLC22A6SLC22A8
SCHEMBL17420557 0.82 NAMPT (0.42) NAMPTCYP17A1RORCMAPKAPK2
SCHEMBL29491458 0.82 NAMPT (0.51) NAMPTCYP17A1RORCPSMB8MAPKAPK2
SCHEMBL392294 0.82 NAMPT (0.51) NAMPTCYP17A1RORCPSMB8MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606541-B2 PPARg modulators and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-04-21 US disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
WO-2017147312-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-08-31 WO disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 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 (5 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 NAMPT 3568/4885TRPV1 915/4885CYP17A1 51/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF NAMPT 2052/4885TRPV1 4727/4885CYP17A1 4684/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD NAMPT 651/4885TRPV1 1422/4885CYP17A1 295/4885
US-12606541-B2 PPARg modulators and methods of use PPARG, PPARA, PPARD NAMPT 2569/4885TRPV1 1422/4885CYP17A1 244/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF NAMPT 2052/4885TRPV1 4727/4885CYP17A1 4684/4885

“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.