SCHEMBL5866155

SCHEMBL5866155

N=C(N)c1ccc(CCOc2cccc(N(CCO)S(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.52
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ F10 P00742 3/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ PLG P00747 2/20 0.41
▸ C1S P09871 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40

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
SCHEMBL5866105 0.90 KEAP1 (0.52) F2KEAP1NFE2L2F10ITGB3
Hydrochloric Acid SCHEMBL5866183 0.90 KEAP1 (0.52) F2KEAP1NFE2L2F10ITGB3
SCHEMBL5866111 0.89 F2 (0.41) F2KEAP1NFE2L2GPR55CA12
SCHEMBL5866159 0.84 F2 (0.41) F2KEAP1NFE2L2GPR55CA12
SCHEMBL5866151 0.84 F2 (0.41) F2KEAP1NFE2L2GPR55CA12
SCHEMBL5866135 0.83 NR3C1 (0.46) F2KEAP1NFE2L2GPR55CA12
SCHEMBL5866150 0.80 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL7604953 0.79 F2 (0.77) F2F10PRSS1PRSS2PRSS3
SCHEMBL5866240 0.75 TMPRSS6 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL5866107 0.74 KEAP1 (0.52) F2KEAP1NFE2L2

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 8 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 claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP claimed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US claimed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US claimed
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 2/4885KEAP1 4086/4885NFE2L2 4578/4885

“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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