SCHEMBL25072806

SCHEMBL25072806

COc1c(NS(=O)(=O)c2cnc(-c3ccc(F)cc3)s2)ccc(C(=O)O)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ METAP2 P50579 6/20 0.42
▸ USP2 O75604 1/20 0.41
▸ USP8 P40818 1/20 0.41
▸ ACLY P53396 4/20 0.41
▸ FABP4 P15090 2/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 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
SCHEMBL25072774 0.88 METAP2 (0.40) KDM4EMETAP2USP2USP8ACLY
SCHEMBL25072800 0.86 METAP2 (0.39) KDM4EMETAP2USP2USP8ACLY
SCHEMBL25734379 0.82 KDM4E (0.51) KDM4EUSP2USP8ACLYFABP4
SCHEMBL25073333 0.81 KDM4E (0.47) KDM4EUSP2USP8ACLYFABP4
SCHEMBL25072519 0.81 KEAP1 (0.44) METAP2USP2USP8ACLYFABP4
SCHEMBL25073206 0.81 KDM4E (0.49) KDM4EUSP2USP8ACLY
SCHEMBL25072997 0.80 KDM4E (0.43) KDM4EMETAP2USP2USP8ACLY
SCHEMBL25072812 0.80 KDM4E (0.39) KDM4EMETAP2USP2USP8ACLY
SCHEMBL25073104 0.80 KDM4E (0.46) KDM4EACLYFABP4CSNK2A2CSNK2A1
SCHEMBL25073171 0.80 ALDH1A1 (0.44) KDM4EACLY

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
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 — — 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 (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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 KDM4E 2637/4885METAP2 2043/4885USP2 2106/4885

“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.

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