SCHEMBL11921832

SCHEMBL11921832

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ STS P08842 5/20 0.35

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
SCHEMBL16542990 0.87 PLA2G4B (0.38) PLA2G4BTSHRITGB3ITGA2BACACB
SCHEMBL11924842 0.86 TSHR (0.42) PLA2G4BTSHRALDH1A1LMNAACACB
SCHEMBL16542991 0.86 EPHX2 (0.37) ACACB
SCHEMBL11921780 0.85 ALDH1A1 (0.40) ALDH1A1ACACB
SCHEMBL15908126 0.85 ALDH1A1 (0.40) PLA2G4BTSHRALDH1A1LMNATP53
SCHEMBL16542993 0.85 LDHA (0.33) —
SCHEMBL16270304 0.85 LMNA (0.33) ALDH1A1LMNA
SCHEMBL11921769 0.84 ESR1 (0.35) TSHRALDH1A1LMNATP53
SCHEMBL11906628 0.83 TSHR (0.38) PLA2G4BTSHRALDH1A1LMNATP53
SCHEMBL16542992 0.82 ACACB (0.41) PLA2G4BTSHRALDH1A1LMNAITGB3

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 12 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-20160250374-A1 Absorbable Multi-Putty Bone Cements and Hemostatic Compositions and Methods of Use ORTHOCON, INC. 2016-09-01 — — US disclosed
US-9314547-B2 Absorbable multi-putty bone cements and hemostatic compositions and methods of use ABYRX INC. (US) 2016-04-19 — — 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 PLA2G4B 4783/4885TSHR 2422/4885ALDH1A1 2903/4885
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 PLA2G4B 4758/4885TSHR 2352/4885ALDH1A1 3569/4885
US-20130245133-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 PLA2G4B 4758/4885TSHR 2352/4885ALDH1A1 3569/4885
US-20160257643-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 PLA2G4B 4758/4885TSHR 2352/4885ALDH1A1 3569/4885
US-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 PLA2G4B 4758/4885TSHR 2352/4885ALDH1A1 3569/4885
US-20180194717-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 PLA2G4B 4758/4885TSHR 2352/4885ALDH1A1 3569/4885

“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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