SCHEMBL5645873

SCHEMBL5645873

O=C(N[C@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCCC2)C1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.56
▸ HRH3 Q9Y5N1 8/20 0.52
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PREP P48147 2/20 0.43
▸ TACR2 P21452 1/20 0.42

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
SCHEMBL14641302 0.94 CASP3 (0.53) CASP3HRH3MMEACEPREP
SCHEMBL14603134 0.94 CASP3 (0.53) CASP3HRH3MMEACEPREP
SCHEMBL6599837 0.83 CASP3 (0.66) CASP3MMEACEKCNH2TACR2
SCHEMBL14603133 0.82 CASP3 (0.64) CASP3MMEACE
SCHEMBL14641301 0.82 CASP3 (0.64) CASP3MMEACE
SCHEMBL5650545 0.82 CASP3 (0.64) CASP3MMEACE
SCHEMBL6601810 0.81 CASP3 (0.68) CASP3MMEACEKCNH2TACR2
SCHEMBL14603128 0.80 CASP3 (0.61) CASP3MMEACE
SCHEMBL14603132 0.80 CASP3 (0.61) CASP3MMEACE
SCHEMBL14641489 0.80 CASP3 (0.61) CASP3MMEACE

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
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 — — US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 — — EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 — — US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 — — 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 (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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 CASP3 1524/4885HRH3 664/4885MME 2910/4885

“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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