SCHEMBL20545499

SCHEMBL20545499

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2ccc(-c3ccccc3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
DDAH1 O94760 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 2/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CYP26A1 O43174 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 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
SCHEMBL22837945 0.88 TP53 (0.36) ALDH1A1KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL20546589 0.76 MMP12 (0.39) CYP26A1CTSAADAMTS4ATML3MBTL1
SCHEMBL20546319 0.73 CTSA (0.36) ALDH1A1KDM4ECYP1A2SMN1; SMN2MAPT
SCHEMBL20546110 0.71 ATM (0.39) ALDH1A1KDM4ECYP26A1MAPTLMNA
SCHEMBL29219680 0.70 CTSA (0.42) CTSA
SCHEMBL20546519 0.70 BRD4 (0.48) CTSA
SCHEMBL20545830 0.70 CTSA (0.45) CYP26A1CTSA
SCHEMBL20545539 0.69 CTSA (0.36) CTSAATML3MBTL1
SCHEMBL29219785 0.68 PFKFB3 (0.41) CTSA
SCHEMBL20546334 0.68 FFAR1 (0.36) CTSAATML3MBTL1

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 ALDH1A1 263/4885KDM4E 4039/4885DDAH1 2720/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 ALDH1A1 263/4885KDM4E 4039/4885DDAH1 2720/4885

“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.