SCHEMBL18549296

SCHEMBL18549296

O=C(O)/C=C/c1ccc(S(=O)(=O)n2ccc3cc(/C=C/C(=O)O)cnc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.56
HDAC1 Q13547 11/20 0.56
HDAC8 Q9BY41 11/20 0.56
HDAC6 Q9UBN7 11/20 0.56
HDAC4 P56524 10/20 0.56
HDAC7 Q8WUI4 10/20 0.56
HDAC2 Q92769 10/20 0.56
HDAC10 Q969S8 10/20 0.56
HDAC11 Q96DB2 10/20 0.56
HDAC9 Q9UKV0 10/20 0.56
HDAC5 Q9UQL6 10/20 0.56
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G4A P47712 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
SCHEMBL18549297 1.00 HDAC3 (0.56) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL17165144 0.93 CYP2C19 (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL17165143 0.93 CYP2C19 (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL29842630 0.92 L3MBTL1 (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL18549194 0.92 PKM (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL28455069 0.92 L3MBTL1 (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL18549245 0.92 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL29842808 0.92 L3MBTL1 (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL18549248 0.92 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL18549196 0.92 PKM (0.52) HDAC3HDAC1HDAC8HDAC6HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001354-B Histone deacetylase inhibitors 台北医学大学 2021-06-22 CN disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-10246455-B2 Histone deacetylase inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2019-04-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 US disclosed
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS TAIPEI MEDICAL UNIVERSITY (TW) 2017-03-02 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 (2 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-10246455-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC5 HDAC3 4/4885HDAC1 1/4885HDAC8 10/4885
US-20170057956-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC5 HDAC3 4/4885HDAC1 1/4885HDAC8 10/4885

“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.