SCHEMBL16645165

SCHEMBL16645165

CCCCOCCc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.37
HCAR3 P49019 4/20 0.37
CYP19A1 P11511 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CES2 O00748 1/20 0.31
STK25 O00506 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL2876826 0.81 HCAR2 (0.47) HCAR2HCAR3CYP2C19TSHRHPGD
SCHEMBL25318750 0.71 HPGD (0.35) TSHRHPGD
SCHEMBL2870689 0.67 HCAR2 (0.46) HCAR2TSHRHPGD
SCHEMBL16629836 0.66 HPGD (0.41) TSHRHPGD
SCHEMBL13107248 0.66 CA2 (0.39) PTGS1PTGS2TSHRCES2RARA
SCHEMBL31475447 0.65 SMN1; SMN2 (0.49) CYP2C9CYP2C19CYP1A2HPGDALDH1A1
SCHEMBL21089342 0.63 PTGS2 (0.31) PTGS2
SCHEMBL7835927 0.62 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4CES2
SCHEMBL1244574 0.62 TSHR (0.41) CYP19A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL31475457 0.62 AGBL2 (0.38) HCAR2CYP2C9CYP2C19TSHRHPGD

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-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (1 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-20160222033-A1 THIAZOLOPYRIMIDINONES AND METHODS OF USE THEREOF TPMT, THPO, CYP11B2 HCAR2 1152/4885HCAR3 1316/4885CYP19A1 928/4885

“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.