SCHEMBL753373

SCHEMBL753373

C[C@H](c1ccc(Oc2ccc(C(=O)O)cn2)cc1Cl)[C@@](O)(c1ccc(C#N)n1C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
P2RX3 P56373 3/20 0.36
PPARG P37231 5/20 0.35
PTGER4 P35408 1/20 0.35
MAPT P10636 1/20 0.34
NR3C1 P04150 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL480716 1.00 HRH3 (0.39) HRH3P2RX3PPARGPTGER4MAPT
SCHEMBL480805 0.89 PPARG (0.36) P2RX3PPARGPTGER4
SCHEMBL753365 0.89 PPARG (0.36) P2RX3PPARGPTGER4
SCHEMBL15789891 0.89 HRH3 (0.39) HRH3P2RX3PPARGPTGER4MAPT
SCHEMBL12164150 0.84 HRH3 (0.40) HRH3P2RX3PTGER4MAPTNR3C1
SCHEMBL2815759 0.84 HRH3 (0.40) HRH3P2RX3PTGER4MAPTNR3C1
SCHEMBL755685 0.84 S1PR2 (0.34) PTGER4AR
SCHEMBL480659 0.84 S1PR2 (0.34) PTGER4AR
SCHEMBL473827 0.84 HRH3 (0.40) HRH3P2RX3PTGER4MAPTNR3C1
SCHEMBL12164135 0.84 HRH3 (0.40) HRH3P2RX3PTGER4MAPTNR3C1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 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 (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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 HRH3 419/4885P2RX3 696/4885PPARG 1039/4885

“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.