SCHEMBL5390738

SCHEMBL5390738

Nc1nccc2ccc(-n3nncc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.77
▸ F2 P00734 4/20 0.77
▸ PRSS1 P07477 3/20 0.77
▸ PRSS2 P07478 3/20 0.77
▸ PRSS3 P35030 3/20 0.77

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
SCHEMBL29721115 0.87 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170828 0.86 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL27518385 0.85 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL5383621 0.82 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL7455654 0.76 F10 (0.62) F10F2PRSS1PRSS2PRSS3
SCHEMBL7133162 0.76 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL7453349 0.75 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL7684163 0.75 F10 (0.78) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169948 0.73 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL7352218 0.73 F10 (0.53) F10F2PRSS1PRSS2PRSS3

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-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 — — US disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 — — US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 — — US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 — — EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 — — US disclosed
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-01 — — US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 — — US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 — — 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 (3 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-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 F10 8/4885F2 11/4885PRSS1 238/4885
US-20040063772-A1 Novel intermediates for guanidine mimics as factor Xa inhibitors TFPI, SERPINC1, F11 F10 13/4885F2 19/4885PRSS1 295/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI F10 11/4885F2 18/4885PRSS1 149/4885

“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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