SCHEMBL20127887

SCHEMBL20127887

N=C(NCCCCCO)NCc1ccc(OCc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.62
LYPLA2 O95372 1/20 0.57
OPRM1 P35372 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
SETD7 Q8WTS6 1/20 0.53
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
MAP1B P46821 1/20 0.49
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PKM P14618 2/20 0.47
CD22 P20273 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL20127890 0.95 SENP1 (0.63) SENP1LYPLA2OPRM1SIRT2SETD7
SCHEMBL18694532 0.80 OPRM1 (0.63) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL22473633 0.80 OPRM1 (0.64) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL20896874 0.79 OPRM1 (0.61) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL20896592 0.79 OPRM1 (0.61) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL13735950 0.79 OPRM1 (0.66) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL20904552 0.79 CA12 (0.61) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL20896670 0.79 CA12 (0.61) SENP1LYPLA2OPRM1SIRT2CA12
SCHEMBL31578420 0.78 OPRM1 (0.64) SENP1LYPLA2OPRM1SIRT2SETD7
Hydrochloric Acid SCHEMBL20896828 0.78 OPRM1 (0.60) SENP1LYPLA2OPRM1SIRT2SETD7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-10 US disclosed
US-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-05-10 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-20180127358-A1 ANTI-INFLAMMATORY DRUG AND USES THEREOF CDK2, CCNT2, CCNE2 SENP1 943/4885LYPLA2 962/4885OPRM1 2347/4885

“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.