SCHEMBL8668091

SCHEMBL8668091

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.70
CTSL P07711 6/20 0.68
CTSB P07858 5/20 0.68
CTSS P25774 2/20 0.68
CTSK P43235 1/20 0.68
TYR P14679 1/20 0.61

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
SCHEMBL15080871 0.94 TACR1 (0.68) TACR1CTSLCTSBCTSSCTSK
SCHEMBL29480462 0.92 CTSL (0.66) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9545976 0.92 CTSL (0.69) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10049956 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL30241933 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8100557 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL16095807 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL12052836 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL30688477 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10722852 0.91 TACR1 (0.70) TACR1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253775-B1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-20170283462-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-10-05 US disclosed
US-20160222060-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 US disclosed
EP-0883629-A1 OLIGOPEPTIDES FOR DRUG DELIVERY Emisphere Technologies, Inc. (US) 1998-12-16 EP disclosed
WO-1997031938-A9 OLIGOPEPTIDES FOR DRUG DELIVERY 1997-11-20 WO disclosed
WO-1997031938-A1 OLIGOPEPTIDES FOR DRUG DELIVERY EMISPHERE TECHNOLOGIES, INC. (US) 1997-09-04 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 (2 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-20170283462-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 TACR1 3230/4885CTSL 424/4885CTSB 1950/4885
US-20160222060-A1 Immunomodulators CD274, PDCD1, PDCD1LG2 TACR1 3230/4885CTSL 424/4885CTSB 1950/4885

“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.