SCHEMBL753147

SCHEMBL753147

C[C@H](c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl)[C@@](O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNQ3 O43525 5/20 0.39
KCNQ2 O43526 5/20 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
SCHEMBL479734 1.00 MAPT (0.43) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL479911 0.94 HDAC4 (0.41) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL479607 0.92 NPC1 (0.52) MEN1KMT2ALMNAPOLBGAA
SCHEMBL754346 0.92 NPC1 (0.52) MEN1KMT2ALMNAPOLBGAA
SCHEMBL480861 0.92 MAPT (0.44) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL755447 0.91 KDM4E (0.50) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL479952 0.91 KDM4E (0.50) MAPTMAPK1NPSR1MEN1KMT2A
SCHEMBL479945 0.91 NPC1 (0.43) MAPTMEN1KMT2AMRGPRX4NPC1
SCHEMBL479841 0.90 PDK1 (0.40) TDP1
SCHEMBL479868 0.90 BTK (0.38) MAPTMEN1KMT2ALMNANPC1

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 MAPT 2644/4885MAPK1 668/4885NPSR1 110/4885

“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.