SCHEMBL12364671

SCHEMBL12364671

Cc1cc(C)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.47
▸ POLB P06746 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ CDK1 P06493 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL10192187 0.82 TP53 (0.64) TP53POLBCDK1CDK2CDK4
SCHEMBL10053513 0.81 CA1 (0.54) TP53POLBCA1CA2CA6
SCHEMBL10053487 0.78 POLB (0.62) TP53POLBCA1CA2CA6
SCHEMBL3542897 0.77 CA1 (0.58) TP53POLBCA1CA2CA6
SCHEMBL8358594 0.76 CA1 (0.61) TP53POLBCA1CA2CA6
SCHEMBL23601605 0.74 CA1 (0.42) TP53CA1CA2CA6OPRK1
SCHEMBL15683644 0.74 CA1 (0.59) TP53POLBCA1CA2CA6
SCHEMBL23601599 0.74 TP53 (0.53) TP53POLBCA1CA2CA6
SCHEMBL22033248 0.73 TP53 (0.51) TP53PIK3C3
SCHEMBL7969768 0.73 CA1 (0.50) TP53POLBCA1CA2CA6

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-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2011-08-11 — — 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-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT TP53 2624/4885POLB 1818/4885CA1 409/4885

“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.

Send feedback