SCHEMBL20545989

SCHEMBL20545989

NC(CC(=O)O)c1ccc(-c2cc(F)ccc2F)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.41
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
FFAR1 O14842 1/20 0.34
CNR1 P21554 1/20 0.34
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
SLC9A1 P19634 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL20545985 1.00 CTSA (0.41) CTSAHSD17B1HSD17B2DPP4DPP8
SCHEMBL20546161 0.90 HSD17B1 (0.43) CTSAHSD17B1HSD17B2DPP4FFAR1
SCHEMBL20546163 0.90 HSD17B1 (0.43) CTSAHSD17B1HSD17B2DPP4FFAR1
SCHEMBL28368125 0.83 ALDH1A1 (0.38) CTSADPP4DPP8DPP7CDC7
SCHEMBL30541327 0.83 ALDH1A1 (0.38) CTSADPP4DPP8DPP7CDC7
SCHEMBL20545904 0.79 FFAR1 (0.48) CTSAHSD17B1HSD17B2FFAR1CNR1
SCHEMBL20545900 0.79 FFAR1 (0.48) CTSAHSD17B1HSD17B2FFAR1CNR1
SCHEMBL28368596 0.73 HSD17B1 (0.41) CTSAHSD17B1HSD17B2CNR1CDC7
SCHEMBL30541315 0.73 HSD17B1 (0.41) CTSAHSD17B1HSD17B2CNR1CDC7
SCHEMBL20545951 0.73 FFAR1 (0.39) FFAR1GABBR2GABBR1

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 CTSA 2240/4885HSD17B1 2006/4885HSD17B2 2347/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885HSD17B1 2006/4885HSD17B2 2347/4885

“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.