SCHEMBL1782354

SCHEMBL1782354

COC(=O)C1=C(O)C(c2ccc(Cl)c(C(F)(F)F)c2)CC(C(=O)OC)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1779964 0.78 NOTUM (0.40) NOTUMKMT2AFFAR1SLC6A4SLC6A3
SCHEMBL1780380 0.73 CCR2 (0.48) NOTUMKDRL3MBTL1LMNAGAA
SCHEMBL24477898 0.66 GAA (0.61) NOTUMKDRL3MBTL1LMNAGAA
SCHEMBL30483542 0.66 GAA (0.61) NOTUMKDRL3MBTL1LMNAGAA
SCHEMBL197395 0.66 NOTUM (0.62) NOTUMKDRL3MBTL1LMNAGAA
SCHEMBL9120515 0.65 NPSR1 (0.62) NOTUML3MBTL1LMNAGAA
SCHEMBL8136081 0.65 NOTUM (0.42) NOTUMKDRL3MBTL1LMNAMAPT
SCHEMBL8158392 0.65 NOTUM (0.42) NOTUMKDRL3MBTL1LMNAGAA
SCHEMBL8997531 0.65 L3MBTL1 (0.48) NOTUML3MBTL1LMNAGAAKMT2A
SCHEMBL29079190 0.63 GAA (0.56) NOTUMKDRL3MBTL1LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507559-B2 Cyclohexenyl modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
EP-2318352-B1 CYCLOHEXENYL COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-19 EP disclosed
US-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118354-A1 CYCLOHEXENYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 NOTUM 2861/4885KDR 1295/4885L3MBTL1 1590/4885

“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.