SCHEMBL20545918

SCHEMBL20545918

COc1cccc(-c2csc(C(CC(=O)O)N[S@+]([O-])c3ccc(C)cc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.44
FFAR1 O14842 4/20 0.42
MME P08473 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTPN1 P18031 1/20 0.38
GNA15 P30679 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALKBH3 Q96Q83 1/20 0.36

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
SCHEMBL30671448 0.91 PTPN1 (0.40) CTSAFFAR1HSD17B1HSD17B2PTPN1
SCHEMBL20546589 0.88 MMP12 (0.39) CTSAFFAR1
SCHEMBL20546203 0.87 CTSA (0.41) CTSAFFAR1MME
SCHEMBL20545539 0.84 CTSA (0.36) CTSAFFAR1
SCHEMBL29219665 0.81 MMP12 (0.41) PTPN1
SCHEMBL30671305 0.81 MMP12 (0.41) PTPN1
SCHEMBL30541468 0.81 MMP12 (0.41) PTPN1
SCHEMBL20546605 0.81 MMP12 (0.38) CTSAFFAR1MME
SCHEMBL30671440 0.79 MAPT (0.39) CTSAMME
SCHEMBL20545538 0.77 CTSA (0.41) CTSAFFAR1

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 2240/4885FFAR1 37/4885MME 3180/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885FFAR1 37/4885MME 3180/4885

“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.