SCHEMBL23317828

SCHEMBL23317828

COc1ccc(CSC)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
APEX1 P27695 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.57
TUBB4A P04350 5/20 0.56
TUBB P07437 5/20 0.56
TUBA3C P0DPH7 5/20 0.56
TUBA1B P68363 5/20 0.56
TUBA4A P68366 5/20 0.56
TUBB4B P68371 5/20 0.56
TUBB3 Q13509 5/20 0.56
TUBB2A Q13885 5/20 0.56
TUBB8 Q3ZCM7 5/20 0.56

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
SCHEMBL69858 0.80 TUBB4A (0.79) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL29398303 0.79 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL109505 0.79 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL347472 0.79 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL27741309 0.79 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL29405348 0.79 CYP1A2 (0.65) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL27183234 0.78 GAA (0.54) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL20821109 0.78 TRPA1 (0.58) CYP1A2CYP3A4TSHRNFKB1ALOX15
SCHEMBL13461916 0.78 KMT2A (0.53) CYP1A2CYP3A4MEN1LMNAKMT2A
SCHEMBL13461856 0.78 NPC1 (0.55) TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20210128667-A1 IMMUNOPROTEASOME INHIBITORS AND IMMUNOSUPPRESSIVE AGENT IN THE TREATMENT OF AUTOIMMUNE DISORDERS KEZAR LIFE SCIENCES 2021-05-06 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP CYP1A2 1156/4885CYP3A4 570/4885TSHR 4110/4885
US-20210128667-A1 IMMUNOPROTEASOME INHIBITORS AND IMMUNOSUPPRESSIVE AGENT IN THE TREATMENT OF AUTOIMMUNE DISORDERS PSMB6, SERPINA3, PSMB10 CYP1A2 4144/4885CYP3A4 4340/4885TSHR 3513/4885

“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.