SCHEMBL25072797

SCHEMBL25072797

O=C(O)C12CC(NS(=O)(=O)c3cnc(-c4ccc(F)cc4)s3)(C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL25072996 0.79 LMNA (0.47) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL25072802 0.75 ALDH1A1 (0.44) PTPN11ALDH1A1KMT2AHPGD
SCHEMBL25734897 0.75 ALDH1A1 (0.44) PTPN11ALDH1A1KMT2AHPGD
SCHEMBL25073051 0.75 ALDH1A1 (0.44) PTPN11ALDH1A1KMT2AHPGD
SCHEMBL25073028 0.74 PTPN11 (0.44) PTPN11HDAC1HDAC9HDAC6HDAC3
SCHEMBL25072528 0.74 PTPN11 (0.39) PTPN11HDAC1HDAC9HDAC6HDAC3
SCHEMBL25072408 0.73 PTPN11 (0.51) PTPN11CSNK2A2CSNK2A1ALDH1A1KDM4E
SCHEMBL25073200 0.73 PTPN11 (0.43) PTPN11HDAC1HDAC9HDAC6HDAC3
SCHEMBL25073315 0.73 KMT2A (0.49) PTPN11LMNAALDH1A1KDM4ENPC1
SCHEMBL25072475 0.70 PTPN11 (0.42) PTPN11HDAC1HDAC9HDAC6HDAC3

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 PTPN11 3612/4885HDAC1 574/4885HDAC9 1058/4885

“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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