SCHEMBL4726420

SCHEMBL4726420

CCCCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.56
CTSS P25774 2/20 0.56
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
CTSK P43235 2/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CASP1 P29466 4/20 0.51

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
SCHEMBL8298775 1.00 CTSL (0.56) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL12062829 1.00 CTSL (0.56) CTSLCTSSITGB3ITGA2BSIRT2
Water SCHEMBL4982047 0.99 CTSL (0.57) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL4763048 0.95 CTSL (0.53) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL2236039 0.95 CTSL (0.53) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL7408222 0.95 CTSL (0.53) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL8276699 0.92 SIRT2 (0.55) CTSLCTSSITGB3ITGA2BSIRT2
SCHEMBL8402651 0.90 ITGB3 (0.59) CTSLCTSSITGB3ITGA2BCTSK
SCHEMBL14346835 0.90 ITGB3 (0.59) CTSLCTSSITGB3ITGA2BCTSK
SCHEMBL11918124 0.88 SIRT2 (0.60) CTSLCTSSITGB3ITGA2BSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681871-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY Azevan Pharmaceuticals, Inc. (US) 2020-07-22 EP disclosed
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
WO-2019055913-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2019-03-21 WO disclosed
US-20180201608-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-19 US disclosed
WO-2008034032-A2 BETA-LACTAM CANNABINOID RECEPTOR MODULATORS AZEVAN PHARMACEUTICALS, INC. (US) 2008-03-20 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-20180201608-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CTSL 1667/4885CTSS 505/4885ITGB3 4716/4885
US-10364236-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B CTSL 1667/4885CTSS 505/4885ITGB3 4716/4885

“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.