SCHEMBL20179109

SCHEMBL20179109

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PPARD Q03181 1/20 0.39
FPR2 P25090 3/20 0.35
S1PR2 O95136 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.34
MMP8 P22894 1/20 0.33
MMP3 P08254 1/20 0.32
EPHX1 P07099 1/20 0.31
MMP2 P08253 1/20 0.31
LPAR3 Q9UBY5 2/20 0.31
CETP P11597 2/20 0.31

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
SCHEMBL20174135 0.77 CA12 (0.49) CA12CA1CA2CA9PPARD
SCHEMBL18248626 0.71 LPAR3 (0.44) CA12CA1CA2CA9S1PR2
SCHEMBL19762001 0.71 PPARD (0.53) CA12CA1CA2CA9PPARD
SCHEMBL14983986 0.68 PPARD (0.50) CA12CA1CA2CA9PPARD
SCHEMBL20179132 0.68 CAPN1 (0.33) MMP8
SCHEMBL14986339 0.67 PPARD (0.57) CA12CA1CA2CA9PPARD
SCHEMBL15438059 0.67 PPARD (0.61) PPARDLPAR3CETP
SCHEMBL11436912 0.66 PPARD (0.55) CA12CA1CA2CA9PPARD
SCHEMBL3981741 0.65 PPARD (0.59) PPARDLPAR3CETP
SCHEMBL11604697 0.65 PPARD (0.59) PPARDLPAR3CETP

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.