SCHEMBL22492226

SCHEMBL22492226

COc1ccc(SCc2ccccc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP2E1 P05181 4/20 0.49
CYP2C8 P10632 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2B6 P20813 4/20 0.49
CYP2C19 P33261 4/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29202305 0.88 ALDH1A1 (0.49) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL29304110 0.83 ALOX5 (0.50) CYP2C19L3MBTL1RAB9AGAAMAPT
SCHEMBL13024489 0.83 NPC1 (0.53) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL13065957 0.81 CYP2E1 (0.49) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL31011651 0.79 IDO1 (0.46) ALDH1A1TDP1TSHRMAPK1CYP3A4
SCHEMBL18680903 0.78 CYP1A2 (0.43) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2127965 0.78 CYP2E1 (0.49) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL2802030 0.78 CYP2E1 (0.49) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL13065956 0.78 CYP2E1 (0.49) ALDH1A1CYP2E1CYP2C8CYP2D6CYP2C9
SCHEMBL11822905 0.77 FFAR1 (0.56) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
EP-3716964-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2020-10-07 EP disclosed
CN-111565717-A Inhibitors of MYST family histone acetyltransferases EPIZYME股份有限公司 2020-08-21 CN 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 (3 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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A ALDH1A1 2786/4885CYP2E1 4269/4885CYP2C8 4155/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A ALDH1A1 2786/4885CYP2E1 4269/4885CYP2C8 4155/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A ALDH1A1 2786/4885CYP2E1 4269/4885CYP2C8 4155/4885

“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.