SCHEMBL20546161

SCHEMBL20546161

N[C@@H](CC(=O)O)c1ccc(-c2ccc(F)cc2F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.43
HSD17B2 P37059 5/20 0.43
CNR1 P21554 1/20 0.41
CTSA P10619 3/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
HMGB1 P09429 1/20 0.35
HPGD P15428 1/20 0.35
CXCL12 P48061 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A6 Q4U2R8 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
SCHEMBL20546163 1.00 HSD17B1 (0.43) HSD17B1HSD17B2CNR1CTSAKDM4E
SCHEMBL20545985 0.90 CTSA (0.41) HSD17B1HSD17B2CNR1CTSACDK2
SCHEMBL20545989 0.90 CTSA (0.41) HSD17B1HSD17B2CNR1CTSACDK2
SCHEMBL30541315 0.83 HSD17B1 (0.41) HSD17B1HSD17B2CNR1CTSAKDM4E
SCHEMBL28368596 0.83 HSD17B1 (0.41) HSD17B1HSD17B2CNR1CTSAKDM4E
SCHEMBL20545904 0.79 FFAR1 (0.48) HSD17B1HSD17B2CNR1CTSAKDM4E
SCHEMBL20545900 0.79 FFAR1 (0.48) HSD17B1HSD17B2CNR1CTSAKDM4E
SCHEMBL20546191 0.78 TTR (0.40) CTSAKDM4EMEN1USP2ALDH1A1
SCHEMBL20546188 0.78 TTR (0.40) CTSAKDM4EMEN1USP2ALDH1A1
SCHEMBL28368125 0.73 ALDH1A1 (0.38) CTSAKDM4EMEN1ALDH1A1CA1

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 HSD17B1 2006/4885HSD17B2 2347/4885CNR1 456/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 HSD17B1 2006/4885HSD17B2 2347/4885CNR1 456/4885

“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.