SCHEMBL5866281

SCHEMBL5866281

Cc1cc(NC(C)CC(=O)NS(=O)(=O)c2ccccc2Cl)cc(OCCc2ccc(C(=N)N)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.50
▸ F10 P00742 4/20 0.50
▸ CTRC Q99895 4/20 0.41
▸ PRSS2 P07478 4/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL5866143 0.91 F2 (0.47) F2F10CTRCPRSS2PRSS1
SCHEMBL5866238 0.89 F2 (0.51) F2F10CTRCPRSS2PRSS1
SCHEMBL5866280 0.87 F2 (0.41) F2F10CTRCPRSS2CA12
SCHEMBL5866285 0.87 F2 (0.41) F2F10CTRCPRSS2CA12
SCHEMBL5866370 0.84 F2 (0.58) F2F10CTRCPRSS2
SCHEMBL5866141 0.79 F2 (0.39) F2F10CTRCPRSS2CA12
SCHEMBL5866147 0.79 F2 (0.39) F2F10CTRCPRSS2CA12
SCHEMBL5866115 0.79 F2 (0.49) F2F10CTRCPRSS2PRSS1
SCHEMBL7607232 0.76 F2 (0.82) F2F10CTRCPRSS2
SCHEMBL7606269 0.76 F2 (0.51) F2F10CTRCPRSS2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP disclosed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US disclosed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — 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-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 F2 2/4885F10 55/4885CTRC 49/4885

“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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