SCHEMBL754978

SCHEMBL754978

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ccc(Cl)c(C(=O)O)c3)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
PPOX P50336 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSB P07858 2/20 0.31
BRD4 O60885 1/20 0.30
KMO O15229 1/20 0.30
FFAR1 O14842 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
KLKB1 P03952 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
SCHEMBL480632 1.00 PTGER4 (0.33) PTGER4TDP1MEN1TTRPPOX
SCHEMBL480687 0.94 S1PR2 (0.34) PTGER4TDP1MEN1TTRPPOX
SCHEMBL753353 0.94 S1PR2 (0.34) PTGER4TDP1MEN1TTRPPOX
SCHEMBL752382 0.93 P2RX3 (0.33) PTGER4TDP1MEN1TTRPPOX
SCHEMBL480623 0.93 P2RX3 (0.33) PTGER4TDP1MEN1TTRPPOX
SCHEMBL480129 0.91 P2RX3 (0.33) PTGER4BRD4
SCHEMBL480737 0.91 P2RX3 (0.33) PTGER4BRD4
SCHEMBL480726 0.91 P2RX3 (0.33) PTGER4BRD4
SCHEMBL755671 0.91 RHEB (0.33) PTGER4TDP1MEN1TTRPPOX
SCHEMBL480873 0.91 RHEB (0.33) PTGER4TDP1MEN1TTRPPOX

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
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
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO 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 PTGER4 543/4885TDP1 1284/4885MEN1 1173/4885

“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.