SCHEMBL16849232

SCHEMBL16849232

CC(C)CN(C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CCR5 P51681 1/20 0.32
GBA1 P04062 2/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL16849230 0.86 CYP1A2 (0.38) CYP1A2CYP2D6F10PRSS1PRSS2
SCHEMBL15726879 0.84 TDP1 (0.36) GBA1
SCHEMBL15723284 0.81 CYP2D6 (0.37) CYP1A2CYP2D6F10PRSS1PRSS2
SCHEMBL15723286 0.77 HSP90AA1 (0.35) CYP1A2CYP2D6BCHEACHEGRIA4
SCHEMBL16259542 0.75 TRPV4 (0.36) CYP1A2CYP2D6GRIA4
SCHEMBL15723288 0.73 ALDH1A1 (0.46)
SCHEMBL24869560 0.72 GSTO1 (0.41)
SCHEMBL16259658 0.71 GRIA4 (0.40) F10PRSS1PRSS2PRSS3GRIA4
SCHEMBL16259567 0.70 CA1 (0.38) F10PRSS1PRSS2PRSS3GRIA4
SCHEMBL15723299 0.70 CNR1 (0.40) GRIA4

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 2 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

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 CYP1A2 461/4885CYP2D6 1162/4885F10 4225/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC CYP1A2 429/4885CYP2D6 1166/4885F10 4341/4885

“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.