SCHEMBL11921777

SCHEMBL11921777

CC(OC(=O)c1ccc(N=C=O)cc1)C(=O)NC(Cc1ccc(OC#N)cc1)C(=O)OC(C)C(=O)Oc1ccc(N=C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ACACB O00763 1/20 0.34
▸ PRSS1 P07477 9/20 0.33
▸ PRSS2 P07478 9/20 0.33
▸ PRSS3 P35030 9/20 0.33
▸ CACNA1B Q00975 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11925982 0.94 TSHR (0.41) CTSLTSHRACACBPRSS1PRSS2
SCHEMBL11921791 0.90 CTSL (0.34) CTSLTSHRPRSS1PRSS2PRSS3
SCHEMBL15259409 0.85 TRPA1 (0.35) CTSLTSHRPRSS1PRSS2PRSS3
SCHEMBL11921829 0.81 CTSL (0.45) CTSLGAARAB9A
SCHEMBL11921759 0.80 TSHR (0.42) CTSLTSHRPRSS1GAARAB9A
SCHEMBL20040346 0.79 SIRT1 (0.34) GAARAB9A
SCHEMBL14802567 0.79 CYP4F2 (0.36) TSHRPRSS1GAAALDH1A1
SCHEMBL16270516 0.78 ELANE (0.43) PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL15908127 0.78 CYP4F2 (0.34) TSHRPRSS1GAAALDH1A1
SCHEMBL11921833 0.77 GAA (0.52) CTSLTSHRGAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2018-07-12 — — US disclosed
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
US-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-06-25 — — US disclosed
US-9012677-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-04-21 — — US disclosed
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-03-05 — — US disclosed
US-8901341-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 — — US disclosed
US-20130245133-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2013-09-19 — — US disclosed
US-8461372-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC 2013-06-11 — — US disclosed
US-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2012-08-16 — — 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 (6 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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM SLC7A1, SLC3A2, BCAT2 CTSL 1916/4885TSHR 2422/4885ACACB 4264/4885
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885TSHR 2352/4885ACACB 4548/4885
US-20130245133-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885TSHR 2352/4885ACACB 4548/4885
US-20160257643-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885TSHR 2352/4885ACACB 4548/4885
US-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885TSHR 2352/4885ACACB 4548/4885
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 CTSL 2080/4885TSHR 2352/4885ACACB 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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