SCHEMBL5403825

SCHEMBL5403825

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.42
ITGB1 P05556 2/20 0.42
SRR Q9GZT4 2/20 0.41
PSAT1 Q9Y617 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 8/20 0.40
PPARA Q07869 7/20 0.40
PPARD Q03181 1/20 0.40
MME P08473 5/20 0.40
ACE P12821 5/20 0.40
ACE2 Q9BYF1 4/20 0.40
CPA1 P15085 3/20 0.40
ITGB7 P26010 1/20 0.39

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
SCHEMBL4600067 0.93 CTRB1 (0.40) ITGA4ITGB1SRRALDH1A1MAPT
SCHEMBL5407004 0.93 CTRB1 (0.40) ITGA4ITGB1SRRALDH1A1MAPT
SCHEMBL30510366 0.93 CTRB1 (0.40) ITGA4ITGB1SRRALDH1A1MAPT
SCHEMBL4600752 0.93 CTRB1 (0.40) ITGA4ITGB1SRRALDH1A1MAPT
SCHEMBL25177964 0.91 ATM (0.39) ITGA4ITGB1ALDH1A1PPARGPPARA
SCHEMBL30767800 0.91 ATM (0.39) ITGA4ITGB1ALDH1A1PPARGPPARA
SCHEMBL3834577 0.90 MEN1 (0.38) ITGA4ITGB1PPARGPPARAMME
SCHEMBL25183089 0.90 C5AR1 (0.43) ITGA4ITGB1PPARGPPARAITGB7
SCHEMBL7105951 0.90 NPC1 (0.38) ITGA4ITGB1PPARGPPARA
SCHEMBL7412293 0.90 MEN1 (0.38) ITGA4ITGB1PPARGPPARAMME

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-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ITGA4 4322/4885ITGB1 3407/4885SRR 2075/4885

“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.