SCHEMBL16849166

SCHEMBL16849166

CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(OC(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.34
NSD2 O96028 2/20 0.33
USP30 Q70CQ3 1/20 0.32
PARG Q86W56 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL16849134 0.82 SLC9A1 (0.34) KCNK3KCNK9
SCHEMBL16852634 0.81 ALDH1A1 (0.39) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL16259598 0.80 CNR1 (0.38) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL16849164 0.77 ALDH1A1 (0.36) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL21026346 0.74 PARG (0.46) ALDH1A1CYP3A4CYP2C9MAPK1CNR1
SCHEMBL19590554 0.72 CNR1 (0.41) ALDH1A1CNR1PARGMAPTSMN1; SMN2
SCHEMBL19590580 0.71 ALDH1A1 (0.39) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL16259597 0.71 RORC (0.38) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL16259611 0.71 ALDH1A1 (0.43) ALOX5APFEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL17299157 0.70 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9MAPK1CNR1

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 4 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-9458104-B2 Carboxamide or sulfonamide substituted nitrogen-containing 5-membered heterocycles as modulators for the orphan nuclear receptor RORγ PHENEX PHARMACEUTICALS AG (DE) 2016-10-04 US disclosed
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA PHENEX PHARMACEUTICALS AG (DE) 2015-12-03 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 (3 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 ALOX5AP 3391/4885FEN1 4845/4885ALDH1A1 688/4885
US-20150344423-A1 CARBOXAMIDE OR SULFONAMIDE SUBSTITUTED NITROGEN-CONTAINING 5-MEMBERED HETEROCYCLES AS MODULATORS FOR THE ORPHAN NUCLEAR RECEPTOR ROR GAMMA RORA, RORB, RORC ALOX5AP 2336/4885FEN1 4833/4885ALDH1A1 1474/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC ALOX5AP 3277/4885FEN1 4850/4885ALDH1A1 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.