SCHEMBL25737555

SCHEMBL25737555

COc1cc(C(=O)O)ccc1NS(=O)(=O)c1cnc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.42
▸ ERAP1 Q9NZ08 3/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL25073454 0.93 KIF11 (0.48) ACLYERAP1ERAP2KIF11CSNK2A2
SCHEMBL25073104 0.87 KDM4E (0.46) ACLYERAP1CSNK2A2CSNK2A1RAD52
SCHEMBL25073396 0.87 ACLY (0.43) ACLYERAP1ERAP2KIF11CSNK2A2
SCHEMBL25737643 0.87 FABP4 (0.40) ACLYKIF11KDM4EALDH1A1LMNA
SCHEMBL25072502 0.86 ACLY (0.50) ACLYERAP1ERAP2CSNK2A2CSNK2A1
SCHEMBL25073391 0.84 ACLY (0.46) ACLYCSNK2A2CSNK2A1RAD52KDM4E
SCHEMBL25073416 0.83 KDM4E (0.43) ACLYERAP1CSNK2A2CSNK2A1RAD52
SCHEMBL25073362 0.83 ACLY (0.41) ACLYERAP1ERAP2CSNK2A2CSNK2A1
SCHEMBL25072705 0.82 CYP3A4 (0.38) ACLYERAP1ERAP2CSNK2A2CSNK2A1
SCHEMBL25737553 0.82 CYP3A4 (0.38) ACLYERAP1ERAP2CSNK2A2CSNK2A1

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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 — — 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ACLY 421/4885ERAP1 657/4885ERAP2 1104/4885

“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.

Send feedback