SCHEMBL4896327

SCHEMBL4896327

CCC1CCC(CS(N)(=O)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
DGAT1 O75907 1/20 0.32
INPP5A Q14642 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SMO Q99835 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 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
SCHEMBL626034 0.92
Hydrochloric Acid SCHEMBL3709128 0.89
SCHEMBL3226350 0.85 DGAT1 (0.30) DGAT1
SCHEMBL22576810 0.82 DGAT1 (0.31) DGAT1INPP5APSEN1PSEN2APH1B
SCHEMBL1795365 0.81 CA2 (0.37) CA1CA2PSEN1PSEN2APH1B
SCHEMBL636443 0.81
SCHEMBL9215451 0.80 INPP5A (0.33) INPP5A
SCHEMBL20320054 0.80 APLNR (0.34) CA1CA2CA12CA14
SCHEMBL21602919 0.79 CA2 (0.41) CA1CA2CA12CA14CA7
SCHEMBL1044247 0.79 CA2 (0.41) CA1CA2CA12CA14CA7

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-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 CA1 4845/4885CA2 3764/4885CA12 4529/4885

“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.