SCHEMBL753365

SCHEMBL753365

C[C@H](c1ccc(Oc2ncc(C(=O)O)cc2Cl)cc1Cl)[C@@](O)(c1ccc(C#N)n1C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.36
PTGER4 P35408 8/20 0.35
PTGER2 P43116 2/20 0.35
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
P2RX3 P56373 1/20 0.33
LIPE Q05469 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL480805 1.00 PPARG (0.36) PPARGPTGER4PTGER2FFAR1SMN1; SMN2
SCHEMBL762930 0.91 PPARG (0.36) PPARGPTGER4PTGER2FFAR1SMN1; SMN2
SCHEMBL480716 0.89 HRH3 (0.39) PPARGPTGER4P2RX3
SCHEMBL753373 0.89 HRH3 (0.39) PPARGPTGER4P2RX3
SCHEMBL12164144 0.84 PTGER4 (0.40) PTGER4PTGER2FFAR1SMN1; SMN2P2RX3
SCHEMBL473849 0.84 PTGER4 (0.40) PTGER4PTGER2FFAR1SMN1; SMN2P2RX3
SCHEMBL755685 0.84 S1PR2 (0.34) PTGER4
SCHEMBL480659 0.84 S1PR2 (0.34) PTGER4
SCHEMBL12164139 0.84 FFAR1 (0.38) PTGER4PTGER2FFAR1SMN1; SMN2LIPE
SCHEMBL473930 0.84 FFAR1 (0.38) PTGER4PTGER2FFAR1SMN1; SMN2LIPE

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 2 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-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 PPARG 1039/4885PTGER4 543/4885PTGER2 571/4885

“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.