SCHEMBL20546304

SCHEMBL20546304

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2ccc(OC(F)(F)F)c(-c3ccccc3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSA P10619 17/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
MMP12 P39900 1/20 0.39
MME P08473 1/20 0.38

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
SCHEMBL29219680 1.00 CTSA (0.42) CTSAPTGDR2MMP12MME
SCHEMBL30671382 0.91 MAPT (0.38) CTSAPTGDR2
SCHEMBL20546070 0.81 CTSA (0.55) CTSA
SCHEMBL20545830 0.77 CTSA (0.45) CTSA
SCHEMBL20545943 0.76 CTSA (0.42) CTSAMMP12MME
SCHEMBL28372980 0.74 KMT2A (0.50)
SCHEMBL20545832 0.74 CTSA (0.47) CTSAPTGDR2MMP12MME
SCHEMBL20545834 0.74 CTSA (0.47) CTSAPTGDR2MMP12MME
SCHEMBL30671436 0.72 CTSA (0.45) CTSA
SCHEMBL20545718 0.71 CTSA (0.43) CTSA

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
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN 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 2240/4885PTGDR2 173/4885MMP12 2983/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885PTGDR2 173/4885MMP12 2983/4885

“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.