SCHEMBL16852473

SCHEMBL16852473

Cc1ccc(OCC(F)(F)F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.49
▸ CYP1A2 P05177 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 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
SCHEMBL18574222 0.84 SLC2A1 (0.50) SLC2A1CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL17299161 0.79 CYP1A2 (0.52) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15538767 0.79 AAK1 (0.46) SLC2A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2025207 0.79 IDO1 (0.59) SLC2A1CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL4523648 0.77 ALDH1A1 (0.47) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8229480 0.77 CYP1A2 (0.54) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16852474 0.76 CYP1A2 (0.52) CYP1A2ALDH1A1KDM4EL3MBTL1CYP2A6
SCHEMBL2130156 0.74 HTT (0.56) SLC2A1CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL25638485 0.74 CNR1 (0.51) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL28288419 0.74 MAPT (0.52) SLC2A1ALDH1A1KDM4EMEN1KMT2A

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 SLC2A1 3213/4885CYP1A2 461/4885ALDH1A1 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 SLC2A1 3981/4885CYP1A2 622/4885ALDH1A1 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 SLC2A1 3093/4885CYP1A2 429/4885ALDH1A1 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.

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