SCHEMBL754431

SCHEMBL754431

C[C@H](c1ccc(COc2ncc(C(=O)O)cn2)cc1Cl)[C@@](O)(c1ccnc(Cl)c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.37
KDM4C Q9H3R0 8/20 0.37
KDM5A P29375 9/20 0.36
KDM5B Q9UGL1 8/20 0.36
KDM2B Q8NHM5 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 1/20 0.36
ALKBH1 Q13686 1/20 0.35
FFAR1 O14842 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL480002 1.00 MRGPRX4 (0.37) MRGPRX4KDM4CKDM5AKDM5BKDM2B
SCHEMBL479977 0.91 MRGPRX4 (0.37) MRGPRX4KDM5AKDM5BRXRAFFAR1
SCHEMBL752267 0.91 MRGPRX4 (0.37) MRGPRX4KDM5AKDM5BRXRAFFAR1
SCHEMBL734262 0.90 MRGPRX4 (0.41) MRGPRX4KDM4CKDM5AKDM5BKDM2B
SCHEMBL753249 0.90 MRGPRX4 (0.41) MRGPRX4KDM4CKDM5AKDM5BKDM2B
SCHEMBL15789733 0.90 FFAR1 (0.35) MRGPRX4KDM4CKDM5AKDM5BKDM2B
SCHEMBL15789701 0.88 FFAR1 (0.33) MRGPRX4RXRAFFAR1
SCHEMBL480027 0.86 PTGER4 (0.35) MRGPRX4
SCHEMBL752896 0.86 RXRA (0.45) MRGPRX4RXRARXRBRXRGFFAR1
SCHEMBL479802 0.86 RXRA (0.45) MRGPRX4RXRARXRBRXRGFFAR1

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
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 MRGPRX4 284/4885KDM4C 3615/4885KDM5A 2193/4885

“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.