SCHEMBL31414847

SCHEMBL31414847

O=C(N[C@H](c1ccccc1)C(F)(F)F)NC1(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.45
CTSL P07711 4/20 0.43
MAPK1 P28482 2/20 0.42
FABP5 Q01469 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TACR3 P29371 1/20 0.40

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
SCHEMBL31414906 1.00 FABP4 (0.45) FABP4CTSLMAPK1FABP5CTSB
SCHEMBL31414925 0.82 OPRM1 (0.42) CTSLCTSBCTSSCTSK
SCHEMBL31414922 0.82 OPRM1 (0.42) CTSLCTSBCTSSCTSK
SCHEMBL16989172 0.81 TACR3 (0.49) CTSLMAPK1CTSSCTSKTACR3
SCHEMBL16989173 0.81 TACR3 (0.49) CTSLMAPK1CTSSCTSKTACR3
SCHEMBL31414948 0.77 FABP4 (0.41) FABP4FABP5
SCHEMBL13624184 0.77 CTSL (0.42) FABP4CTSLFABP5CTSBCTSS
SCHEMBL4368196 0.75 CTSK (0.42) FABP4CTSLFABP5CTSBCTSS
SCHEMBL250886 0.74 TACR3 (0.49) CTSLCTSSCTSKTACR3
SCHEMBL31414932 0.73 FABP4 (0.45) FABP4CTSLFABP5

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 1043/4885CTSL 279/4885MAPK1 3042/4885

“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.