SCHEMBL13552193

SCHEMBL13552193

CCCCc1cc(C(=N)N)ccc1OCCO

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.52
F2 P00734 1/20 0.50
PLAU P00749 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50

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
SCHEMBL73946 0.92 PRSS1 (0.55) PRSS1F2PLAUST14
SCHEMBL13552192 0.89 PRSS1 (0.52) PRSS1F2PLAUST14
SCHEMBL13476052 0.88 PRSS1 (0.52) PRSS1F2PLAUST14
SCHEMBL74408 0.88 LTB4R (0.43) PRSS1
SCHEMBL6876936 0.84 PRSS1 (0.47) PRSS1F2PLAUST14
SCHEMBL13552209 0.79 PRSS1 (0.55) PRSS1F2PLAUST14
SCHEMBL73829 0.79 MAPT (0.51)
SCHEMBL13127138 0.77 PRSS1 (0.61) PRSS1F2PLAUST14
SCHEMBL12634447 0.77 KCNH2 (0.44)
SCHEMBL13127009 0.77 PRSS1 (0.74) PRSS1F2PLAUST14

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-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 US disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 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 (2 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 PRSS1 1/4885F2 145/4885PLAU 88/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 PRSS1 1/4885F2 152/4885PLAU 115/4885

“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.