SCHEMBL29311463

SCHEMBL29311463

N#Cc1ccc(=O)n(SS)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
CA2 P00918 4/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
CREBBP Q92793 1/20 0.31
CA1 P00915 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL12909926 0.69 CREBBP (0.48) CA2ALDH1A1CYP2A6CA12CA3
SCHEMBL29311474 0.69 MAPT (0.35) ALDH1A1
SCHEMBL29311492 0.65 CA1 (0.37) GSK3BCA2ALDH1A1CYP2A6CA12
SCHEMBL10244720 0.65 CYP2A6 (0.45) ALDH1A1CYP2A6ELANEPOLBL3MBTL1
SCHEMBL12890138 0.65 CREBBP (0.42) ALDH1A1CYP2A6ELANEPOLBCASP3
SCHEMBL10079094 0.64 KDM4E (0.55) ALDH1A1POLBMAOAMAOB
SCHEMBL29311487 0.62 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10078773 0.62 CA12 (0.50) CA2ALDH1A1CA12CA3CA6
SCHEMBL24258071 0.61 L3MBTL1 (0.53) ALDH1A1L3MBTL1
SCHEMBL45942 0.59 CA2 (0.69) CA2ALDH1A1CYP2A6CA12CA3

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 GSK3B 130/4885CA2 4099/4885ALDH1A1 3112/4885

“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.