SCHEMBL10035205

SCHEMBL10035205

C=C(C)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.74
F12 P00748 1/20 0.74
PRSS2 P07478 1/20 0.74
PRSS3 P35030 1/20 0.74
F2 P00734 1/20 0.71
C1R P00736 1/20 0.71
F10 P00742 1/20 0.71
KLKB1 P03952 1/20 0.71
KLK1 P06870 1/20 0.71
PTGIR P43119 10/20 0.56
ADRA2A P08913 7/20 0.53
ADRA2B P18089 6/20 0.53
ADRA2C P18825 6/20 0.53
GPR65 Q8IYL9 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
Sepimostat SCHEMBL872319 0.85 F12 (1.00) PRSS1F12PRSS2PRSS3F2
Sepimostat SCHEMBL9825206 0.84 F12 (0.98) PRSS1F12PRSS2PRSS3F2
Sepimostat SCHEMBL1228902 0.83 PRSS1 (1.00) PRSS1F12PRSS2PRSS3F2
Sepimostat SCHEMBL15536391 0.83 PRSS1 (1.00) PRSS1F12PRSS2PRSS3F2
Sepimostat SCHEMBL29406588 0.83 PRSS1 (1.00) PRSS1F12PRSS2PRSS3F2
SCHEMBL6158402 0.73 PTGIR (0.63) PRSS1F12PRSS2PRSS3F2
SCHEMBL7588328 0.72 ADRA2A (0.64) PRSS1F12PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL7563216 0.70 PRSS1 (0.68) PRSS1F12PRSS2PRSS3F2
SCHEMBL8953899 0.70 ADRA2A (0.79) PTGIRADRA2AADRA2BADRA2C
SCHEMBL10376201 0.70 PTGIR (0.64) PRSS1F12PRSS2PRSS3F2

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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals DRITTE PATENTPORTFOLIO BETEILIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2012-03-29 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-20120077876-A1 Method For Improved Bioactivation Of Pharmaceuticals CYP2B6, CYP1A2, CYP2D6 PRSS1 545/4885F12 258/4885PRSS2 386/4885

“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.