SCHEMBL24554609

SCHEMBL24554609

Cc1cccc(F)c1C(C)(C)CSN

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
KIF11 P52732 1/20 0.33
PDE7A Q13946 1/20 0.33
PDK2 Q15119 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL17552748 0.78 ACHE (0.43) ACHEKIF11PDE7ACA1CA2
SCHEMBL3668657 0.74 ACHE (0.46) ACHEKIF11CA1CA2CA7
SCHEMBL803441 0.73 ACHE (0.50) ACHECA1CA2CA7CA9
SCHEMBL24105727 0.73 ACHE (0.50) ACHEPDK2CA1CA2CA7
SCHEMBL22024000 0.72 ACHE (0.44) ACHEKIF11PDE7ACA1CA2
SCHEMBL22989913 0.71 ACHE (0.48) ACHEPDK2CA1CA2CA7
SCHEMBL4553968 0.69 ACHE (0.50) ACHEPDK2CA1CA2CA7
SCHEMBL19618115 0.65 RIPK1 (0.40) ACHE
SCHEMBL20250030 0.64 KAT6A (0.41) ACHE
SCHEMBL20250032 0.63 KAT6A (0.40) ACHEPDK2

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-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-06-23 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-20220194917-A1 BENZOTHIOPHENE-BASED SELECTIVE ESTROGEN RECEPTOR DOWNREGULATOR COMPOUNDS ESR1, ESR2, GPER1 ACHE 4788/4885KIF11 4172/4885PDE7A 4662/4885

“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.