SCHEMBL12445262

SCHEMBL12445262

COc1ccc(N2CCCS2(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TP53 P04637 4/20 0.57
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA6 P23280 1/20 0.50
OPRK1 P41145 1/20 0.50
CA12 O43570 1/20 0.47
AKR1C3 P42330 1/20 0.47
POLB P06746 2/20 0.43
PDE4A P27815 1/20 0.42

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
SCHEMBL10053513 0.80 CA1 (0.54) LMNATP53CA1CA2CA7
SCHEMBL10250078 0.78 NPC1 (0.46) LMNATP53CA1CA2CA9
SCHEMBL5434812 0.78 ALDH1A1 (0.60) TP53CA1CA2CA7CA9
SCHEMBL4599264 0.77 CA1 (0.54) TP53CA1CA2CA7CA9
SCHEMBL979663 0.77 CA1 (0.54) LMNATP53CA1CA2CA7
SCHEMBL25845303 0.77 CA1 (0.54) TP53CA1CA2CA7CA9
SCHEMBL3542897 0.77 CA1 (0.58) TP53CA1CA2CA7CA9
SCHEMBL12523286 0.76 TP53 (0.56) LMNATP53CA1CA2CA7
SCHEMBL12457428 0.76 CA1 (0.50) LMNATP53CA1CA2CA7
SCHEMBL7969768 0.76 CA1 (0.50) TP53CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A LMNA 3961/4885TP53 4150/4885CA1 4456/4885

“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.