SCHEMBL18039873

SCHEMBL18039873

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 1.00
▸ KLKB1 P03952 4/20 0.66
▸ F11 P03951 1/20 0.59
▸ CTRB1 P17538 1/20 0.59
▸ CTRL P40313 1/20 0.59
▸ CTRB2 Q6GPI1 1/20 0.59
▸ CTRC Q99895 1/20 0.59

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
SCHEMBL18039911 0.96 F2 (0.93) F2KLKB1F11CTRB1CTRL
SCHEMBL18039776 0.94 F2 (0.90) F2KLKB1F11CTRB1CTRL
SCHEMBL18039854 0.92 F2 (1.00) F2KLKB1F11CTRB1CTRL
SCHEMBL20473866 0.90 F2 (0.83) F2KLKB1F11CTRB1CTRL
SCHEMBL29905941 0.90 F2 (1.00) F2KLKB1F11CTRB1CTRL
SCHEMBL18039904 0.89 F2 (0.82) F2KLKB1
SCHEMBL20473889 0.89 F2 (0.81) F2KLKB1
SCHEMBL29905691 0.89 F2 (1.00) F2KLKB1F11CTRB1CTRL
SCHEMBL29905121 0.89 F2 (0.81) F2KLKB1F11CTRB1CTRL
SCHEMBL29905170 0.87 F2 (0.78) F2KLKB1F11CTRB1CTRL

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 6 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 claimed
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 9/4885F11 92/4885
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 F2 30/4885KLKB1 9/4885F11 92/4885

“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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