SCHEMBL18039743

SCHEMBL18039743

O=C(C1CCCC1)n1nc(C2CCNCC2)cc1NCc1ccc(Cl)s1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 0.75
▸ KLKB1 P03952 3/20 0.51

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
Hydrochloric Acid SCHEMBL29905299 0.99 F2 (0.74) F2KLKB1
Hydrochloric Acid SCHEMBL18039880 0.98 F2 (0.73) F2KLKB1
SCHEMBL20473889 0.88 F2 (0.81) F2KLKB1
SCHEMBL29905182 0.87 F2 (0.73) F2KLKB1
Hydrochloric Acid SCHEMBL18039961 0.86 F2 (0.72) F2KLKB1
SCHEMBL18039873 0.86 F2 (1.00) F2KLKB1
SCHEMBL18039911 0.84 F2 (0.93) F2KLKB1
Hydrochloric Acid SCHEMBL18039842 0.84 F2 (0.73) F2KLKB1
SCHEMBL18039854 0.83 F2 (1.00) F2KLKB1
Hydrochloric Acid SCHEMBL29905266 0.82 F2 (0.68) F2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3261639-B1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INT CORPORATION (US) 2022-08-24 — — EP disclosed
US-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2020-04-09 — — US disclosed
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-08-23 — — US disclosed
EP-3261639-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2018-01-03 — — EP disclosed
WO-2016138532-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORPORATION (US) 2016-09-01 — — WO 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-20200109132-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 F2 30/4885KLKB1 9/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 F2 30/4885KLKB1 9/4885

“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.

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