SCHEMBL31414948

SCHEMBL31414948

O=C(NC(c1ccc(F)cc1F)C(F)(F)F)NC1(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 10/20 0.41
SLC22A2 O15244 1/20 0.37
FABP5 Q01469 4/20 0.37
ERAP1 Q9NZ08 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
BDKRB1 P46663 2/20 0.34
RECQL P46063 1/20 0.33
FOLH1 Q04609 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
SCHEMBL31414932 0.91 FABP4 (0.45) FABP4FABP5ERAP1BDKRB1
SCHEMBL31414901 0.83 BDKRB1 (0.39) SLC22A2BDKRB1
SCHEMBL31414906 0.77 FABP4 (0.45) FABP4FABP5
SCHEMBL31414847 0.77 FABP4 (0.45) FABP4FABP5
SCHEMBL31414870 0.76 BDKRB1 (0.42) BDKRB1
SCHEMBL31414899 0.73 BDKRB1 (0.38) BDKRB1
SCHEMBL25706639 0.66 CES2 (0.38) SLC22A2CES2CES1RECQL
SCHEMBL6239390 0.66 FABP4 (0.60) FABP4FABP5
SCHEMBL1740298 0.62 KCNK3 (0.46) FABP4ERAP1CES2CES1
SCHEMBL16372472 0.61 CES2 (0.43) CES2CES1BDKRB1RECQL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF MIRUM PHARMACEUTICALS, INC. 2025-01-23 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 (1 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-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B13, HSD17B1, HSD17B3 FABP4 1043/4885SLC22A2 1162/4885FABP5 976/4885

“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.