SCHEMBL20174138

SCHEMBL20174138

CCOP(=O)(CCCCNC(=S)CC)OCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PPARD Q03181 2/20 0.44
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL18256329 0.87 CA12 (0.44) CA12CA1CA2CA9PPARD
SCHEMBL20174135 0.85 CA12 (0.49) CA12CA1CA2CA9PPARD
SCHEMBL18248535 0.83 CA12 (0.41) CA12CA1CA2CA9PPARD
SCHEMBL20174136 0.81 MEN1 (0.59) CA12CA1CA2CA9PPARD
SCHEMBL4229904 0.78 CA12 (0.51) CA12CA1CA2CA9PPARD
SCHEMBL14679027 0.76 MEN1 (0.55) CA12CA1CA2CA9PPARD
SCHEMBL18256330 0.75 CASP2 (0.56) CA12CA1CA2CA9PPARD
SCHEMBL7268189 0.75 PPARD (0.64) PPARDTSHR
SCHEMBL11699849 0.74 CA12 (0.50) CA12CA1CA2CA9PPARD
SCHEMBL11323349 0.73 PPARD (0.61) PPARDTSHR

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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 CA12 2008/4885CA1 1711/4885CA2 2755/4885

“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.