SCHEMBL733547

SCHEMBL733547

Cc1cnc([C@](O)([C@H](C)c2ccc(OCc3ccc(C(=O)O)cc3)cc2Cl)C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.44
RXRB P28702 7/20 0.44
MRGPRX4 Q96LA9 4/20 0.42
NR4A2 P43354 4/20 0.42
RXRG P48443 3/20 0.41
FFAR1 O14842 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NR1H4 Q96RI1 3/20 0.40
LIFR P42702 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL479988 1.00 RXRA (0.44) RXRARXRBMRGPRX4NR4A2RXRG
SCHEMBL733155 1.00 RXRA (0.44) RXRARXRBMRGPRX4NR4A2RXRG
SCHEMBL479828 0.92 MAOB (0.45) RXRARXRBMRGPRX4FFAR1POLB
SCHEMBL480629 0.92 NPC1 (0.41) MRGPRX4FFAR1NPC1RAB9ANR1H4
SCHEMBL733430 0.92 MAOB (0.45) RXRARXRBMRGPRX4FFAR1POLB
SCHEMBL733293 0.92 MAOB (0.45) RXRARXRBMRGPRX4FFAR1POLB
SCHEMBL754282 0.92 FFAR1 (0.42) RXRARXRBMRGPRX4RXRGFFAR1
SCHEMBL479751 0.92 FFAR1 (0.42) RXRARXRBMRGPRX4RXRGFFAR1
SCHEMBL479885 0.91 MRGPRX4 (0.52) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL479949 0.91 ALDH1A1 (0.39) RXRARXRBMRGPRX4POLB

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 11 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 claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
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-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
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 RXRA 584/4885RXRB 917/4885MRGPRX4 284/4885

“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.