SCHEMBL25073206

SCHEMBL25073206

COc1cc(C(=O)O)c(Cl)cc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.45
▸ ACLY P53396 5/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCR2 P41597 2/20 0.41
▸ PYGL P06737 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.40
▸ PTK2 Q05397 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
SCHEMBL25734379 0.90 KDM4E (0.51) KDM4EACLYALDH1A1LMNAMAPT
SCHEMBL25073104 0.85 KDM4E (0.46) KDM4ELRRK2ACLYALDH1A1LMNA
SCHEMBL25073333 0.83 KDM4E (0.47) KDM4EACLYALDH1A1LMNAMAPT
SCHEMBL25073391 0.83 ACLY (0.46) KDM4EACLYALDH1A1LMNAMAPT
SCHEMBL25073084 0.81 GUSB (0.44) KDM4EACLYALDH1A1LMNAMAPT
SCHEMBL25073004 0.81 KDM4E (0.49) KDM4ELRRK2ACLYALDH1A1LMNA
SCHEMBL25072806 0.81 KDM4E (0.43) KDM4EACLYUSP2USP8
SCHEMBL25073416 0.81 KDM4E (0.43) KDM4EACLYALDH1A1LMNAMAPT
SCHEMBL25072810 0.80 POLB (0.44) KDM4ELRRK2ALDH1A1LMNAMAPT
SCHEMBL25737643 0.79 FABP4 (0.40) KDM4EACLYALDH1A1LMNAMAPT

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 2637/4885LRRK2 4327/4885ACLY 421/4885

“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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