SCHEMBL20174143

SCHEMBL20174143

CCNC(=S)CCCCNC(=S)CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT2 Q8IXJ6 5/20 0.34
SIRT1 Q96EB6 3/20 0.34
EPHX2 P34913 3/20 0.34
KDM4A O75164 1/20 0.33
FAAH O00519 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
CASP2 P42575 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH2 P25021 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
SCHEMBL18256335 0.86 FAAH (0.48) SIRT2SIRT1EPHX2FAAHSIRT3
SCHEMBL11858137 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4KDM4AFAAH
SCHEMBL1755595 0.79
SCHEMBL18248537 0.79 EPHX2 (0.54) ALDH1A1CYP3A4SIRT2SIRT1EPHX2
SCHEMBL11176825 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2
SCHEMBL11318989 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2
SCHEMBL22365675 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2
SCHEMBL11309804 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2
SCHEMBL18248636 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2
SCHEMBL14957807 0.78 EPHX1 (0.52) SIRT2SIRT1EPHX2FAAHCASP2

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 ALDH1A1 4218/4885CYP3A4 4621/4885MEN1 1836/4885

“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.