SCHEMBL20546110

SCHEMBL20546110

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2ccc(Cc3ccccc3C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CTSA P10619 7/20 0.39
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP26A1 O43174 1/20 0.37
FFAR1 O14842 4/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL31109279 0.88 MEN1 (0.37) ALDH1A1FFAR1LMNAMAPT
SCHEMBL31109238 0.76 MEN1 (0.41) KEAP1NFE2L2ALDH1A1FFAR1KDM4E
SCHEMBL31109311 0.72 KMT2A (0.39) KEAP1NFE2L2ALDH1A1FFAR1LMNA
SCHEMBL20545830 0.72 CTSA (0.45) CTSACYP26A1FFAR1
SCHEMBL20546319 0.71 CTSA (0.36) ATML3MBTL1CTSAALDH1A1KDM4E
SCHEMBL20545499 0.71 ALDH1A1 (0.39) ATML3MBTL1CTSAALDH1A1CYP26A1
SCHEMBL20546334 0.71 FFAR1 (0.36) ATML3MBTL1CTSAFFAR1
SCHEMBL29219680 0.71 CTSA (0.42) CTSA
SCHEMBL20546304 0.71 CTSA (0.42) CTSA
SCHEMBL20546056 0.71 FFAR1 (0.44) L3MBTL1FFAR1LMNATSHR

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-3615515-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
WO-2018209363-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC (US) 2018-11-15 WO disclosed
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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 (3 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-10246451-B2 Propionic acid derivatives and methods of use thereof ITGA4, ITGB3, ITGB5 ATM 4539/4885L3MBTL1 3880/4885CTSA 2586/4885
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 ATM 4644/4885L3MBTL1 3328/4885CTSA 2468/4885
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB5 ATM 4539/4885L3MBTL1 3880/4885CTSA 2586/4885

“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.