SCHEMBL754541

SCHEMBL754541

CCOC(=O)c1cc(Oc2ccc([C@H](C)[C@](O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
P2RX3 P56373 4/20 0.32
LGALS8 O00214 1/20 0.32
LGALS3 P17931 1/20 0.32
NR3C2 P08235 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MLYCD O95822 1/20 0.31
TEAD2 Q15562 1/20 0.31
PKM P14618 1/20 0.31
FFAR1 O14842 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL480476 1.00 BAZ2B (0.38) BAZ2BBAZ2ACYP4F2CYP4A11KMT2A
SCHEMBL480681 0.93 BAZ2B (0.37) BAZ2BBAZ2ACYP1A2P2RX3NR3C2
SCHEMBL753126 0.93 BAZ2B (0.37) BAZ2BBAZ2ACYP1A2P2RX3NR3C2
SCHEMBL754978 0.91 PTGER4 (0.33) KMT2AFFAR1
SCHEMBL480632 0.91 PTGER4 (0.33) KMT2AFFAR1
SCHEMBL480703 0.86 CYP1A2 (0.32) BAZ2BBAZ2AKMT2ACYP1A2P2RX3
SCHEMBL754977 0.86 CYP1A2 (0.32) BAZ2BBAZ2AKMT2ACYP1A2P2RX3
SCHEMBL753353 0.86 S1PR2 (0.34) KMT2A
SCHEMBL480687 0.86 S1PR2 (0.34) KMT2A
SCHEMBL752382 0.85 P2RX3 (0.33) KMT2AP2RX3MRGPRX4

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 6 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
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 BAZ2B 4537/4885BAZ2A 4457/4885CYP4F2 238/4885

“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.