SCHEMBL18057033

SCHEMBL18057033

COC(=O)C(Cc1ccc(OC#N)cc1)N=C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.43
▸ LDHA P00338 1/20 0.40
▸ ACACB O00763 3/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ ANPEP P15144 2/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 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
SCHEMBL11921778 0.89 LDHA (0.38) MIFLDHAACACBDPP4FAP
SCHEMBL16542991 0.88 EPHX2 (0.37) LDHAACACBDPP4FAPDPP8
SCHEMBL15729872 0.88 LDHA (0.53) MIFLDHAACACBPPARGPPARA
SCHEMBL11921748 0.86 LDHA (0.39) LDHAACACBESR1ESR2DPP4
SCHEMBL16542993 0.85 LDHA (0.33) LDHADPP4FAPDPP8DPP9
SCHEMBL11921832 0.82 PLA2G4B (0.38) ACACB
SCHEMBL27323338 0.82 MIF (0.62) MIFESR1ESR2
SCHEMBL18057034 0.82 MIF (0.37) MIFLDHA
SCHEMBL11921807 0.82 CYP3A4 (0.37) LDHADPP4FAPDPP8DPP9
SCHEMBL11336438 0.82 MIF (0.43) MIFLDHAACACBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868696-B2 Amino acid derivatives and absorbable polymers therefrom Bezwada Biomedial, LLC (US) 2018-01-16 — — US disclosed
US-20160257643-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2016-09-08 — — 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-20160257643-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 MIF 502/4885LDHA 2987/4885ACACB 4548/4885

“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.

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