SCHEMBL753157

SCHEMBL753157

Cc1cc([C@@](O)([C@@H](C)c2ccc(Oc3ncc(C(=O)O)cc3Cl)cc2Cl)C(F)(F)F)cn(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
PTGER4 P35408 6/20 0.35
P2RX3 P56373 1/20 0.35
FFAR1 O14842 1/20 0.35
LMNA P02545 1/20 0.34
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
DRD1 P21728 1/20 0.33
PTGER2 P43116 1/20 0.33
BRD4 O60885 1/20 0.33
SCN9A Q15858 1/20 0.33
KDR P35968 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
SCHEMBL480777 1.00 SMN1; SMN2 (0.35) SMN1; SMN2PTGER4P2RX3FFAR1LMNA
SCHEMBL480714 0.95 PTGER4 (0.35) SMN1; SMN2PTGER4FFAR1PPARGPTGER2
SCHEMBL754991 0.95 PTGER4 (0.35) SMN1; SMN2PTGER4FFAR1PPARGPTGER2
SCHEMBL753383 0.92 LMNA (0.37) SMN1; SMN2PTGER4P2RX3FFAR1LMNA
SCHEMBL480422 0.92 LMNA (0.37) SMN1; SMN2PTGER4P2RX3FFAR1LMNA
SCHEMBL754996 0.90 PTGER4 (0.34) PTGER4P2RX3BRD4KDR
SCHEMBL480645 0.90 PTGER4 (0.34) PTGER4P2RX3BRD4KDR
SCHEMBL480612 0.89 HRH3 (0.40) PTGER4P2RX3LMNALIPE
SCHEMBL732755 0.89 HRH3 (0.40) PTGER4P2RX3LMNALIPE
SCHEMBL480891 0.89 HRH3 (0.40) PTGER4P2RX3LMNALIPE

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 4 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
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 SMN1; SMN2 4229/4885PTGER4 543/4885P2RX3 696/4885

“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.