SCHEMBL15549564

SCHEMBL15549564

C=CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
ALDH1A1 P00352 5/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 1/20 0.38
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XDH P47989 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH2 P05091 1/20 0.36
AKR1B1 P15121 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL11305609 0.95 ALDH1A1 (0.38) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL4419656 0.86 GABRA1 (0.54) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL9248524 0.79 GABRA1 (0.42) GABRA1GABRB2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5720674 0.79 GABRA1 (0.42) GABRA1GABRB2TP53TSHRMAPT
SCHEMBL8955799 0.77 ALDH1A1 (0.52) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL28869017 0.77 IDO1 (0.47) GABRA1GABRB2ALDH1A1PPARGPPARD
Bromide SCHEMBL28225198 0.76 ALDH1A1 (0.50) GABRA1GABRB2ALDH1A1PPARGPPARD
Methoxymethane SCHEMBL28327776 0.75 ALDH1A1 (0.46) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL215399 0.74 XDH (0.50) GABRA1GABRB2ALDH1A1PPARGPPARD
SCHEMBL10412824 0.74 TNKS (0.37) GABRA1GABRB2ALDH1A1PPARGPPARD

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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
US-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2015-06-25 US disclosed
EP-2855440-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] Phenex Pharmaceuticals AG (DE) 2015-04-08 EP disclosed
EP-2855455-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
WO-2013178362-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] PHENEX PHARMACEUTICALS AG (DE) 2013-12-05 WO disclosed
WO-2013178572-A1 TRIAZOLO COMPOUNDS AS PDE10 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 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 (2 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-20150175562-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED THIAZOLES AND RELATED DERIVATIVES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR[GAMMA] RORA, RORB, RORC GABRA1 261/4885GABRB2 342/4885ALDH1A1 688/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC GABRA1 273/4885GABRB2 345/4885ALDH1A1 671/4885

“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.