SCHEMBL20546005

SCHEMBL20546005

CC(C)(C)[S@@+]([O-])NC(CC(=O)O)c1cccc(-c2ccoc2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.36
CYP26A1 O43174 4/20 0.36
CNR1 P21554 1/20 0.35
SERPINE1 P05121 4/20 0.35
ITGB3 P05106 1/20 0.34
ITGAV P06756 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
SCHEMBL30671466 0.87 ALDH1A1 (0.36) CNR1SERPINE1
SCHEMBL20545829 0.84 CTSA (0.46) CTSA
SCHEMBL20546129 0.81 CTSA (0.42) CTSACYP26A1
SCHEMBL20545785 0.80 FFAR1 (0.45) CTSA
SCHEMBL28885122 0.80 ITGB3 (0.42) CTSACYP26A1CNR1ITGB3ITGAV
SCHEMBL17841455 0.78 CTSA (0.44) CTSACYP26A1ITGB3ITGAV
SCHEMBL22691186 0.78 CYP26A1 (0.44) CTSACYP26A1
SCHEMBL17841456 0.78 CTSA (0.44) CTSACYP26A1ITGB3ITGAV
SCHEMBL20546555 0.78 CYP26A1 (0.44) CTSACYP26A1
SCHEMBL22691188 0.78 CYP26A1 (0.44) CTSACYP26A1

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-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885CYP26A1 1611/4885CNR1 456/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885CYP26A1 1611/4885CNR1 456/4885

“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.