SCHEMBL753267

SCHEMBL753267

C[C@@H](c1ccc(OCc2ccc(C(=O)O)cc2)cc1Cl)[C@](O)(c1cccc2cnccc12)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
RXRG P48443 2/20 0.41
NR1H4 Q96RI1 3/20 0.40
LIFR P42702 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
NR4A2 P43354 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL480023 1.00 MRGPRX4 (0.42) MRGPRX4RXRARXRBNR1H2NR1H3
SCHEMBL755581 0.93 PPARD (0.41) MRGPRX4NR1H2NR1H3NR1H4TRPV1
SCHEMBL480008 0.93 PPARD (0.41) MRGPRX4NR1H2NR1H3NR1H4TRPV1
SCHEMBL754898 0.92 MAOB (0.42) MRGPRX4NR1H2NR1H3TRPV1SMN1; SMN2
SCHEMBL479608 0.92 MAOB (0.42) MRGPRX4NR1H2NR1H3TRPV1SMN1; SMN2
SCHEMBL480162 0.90 LMNA (0.41) MRGPRX4NR1H2NR1H3TRPV1CYP26A1
SCHEMBL480006 0.84 RXRA (0.47) MRGPRX4RXRARXRBRXRGNR1H4
SCHEMBL734642 0.83 ALDH1A1 (0.37) TRPV1CYP3A4SMN1; SMN2
SCHEMBL480028 0.82 P2RX7 (0.36) TRPV1SMN1; SMN2
SCHEMBL480188 0.80 KDM4E (0.36) TRPV1SMN1; SMN2

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 MRGPRX4 284/4885RXRA 584/4885RXRB 917/4885

“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.