SCHEMBL20546319

SCHEMBL20546319

Cc1ccc([S@@+]([O-])NC(CC(=O)O)c2cccn2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 6/20 0.35
GAA P10253 1/20 0.35
FPR1 P21462 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 5/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30671399 0.88 GABRA2 (0.38) RECQLKDM4EGAAFPR1ALDH1A1
SCHEMBL20545499 0.73 ALDH1A1 (0.39) CTSARECQLKDM4EGAAATM
SCHEMBL20546589 0.71 MMP12 (0.39) CTSAATML3MBTL1
SCHEMBL20546110 0.71 ATM (0.39) CTSAKDM4EATML3MBTL1ALDH1A1
SCHEMBL20546334 0.68 FFAR1 (0.36) CTSAATML3MBTL1
SCHEMBL20545539 0.67 CTSA (0.36) CTSAATML3MBTL1
SCHEMBL14008626 0.67 LMNA (0.41) KDM4EGAAATMALDH1A1CYP1A2
SCHEMBL29219680 0.66 CTSA (0.42) CTSA
SCHEMBL29219785 0.66 PFKFB3 (0.41) CTSA
SCHEMBL20546583 0.66 ALDH1A1 (0.43) KDM4EGAAATMALDH1A1POLB

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 3 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
US-20180312523-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 (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 2240/4885RECQL 3926/4885KDM4E 4039/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885RECQL 3926/4885KDM4E 4039/4885

“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.