SCHEMBL5866237

SCHEMBL5866237

N/N=C\c1ccc(CCOc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.53
FABP1 P07148 1/20 0.48
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
HTR6 P50406 7/20 0.48
CACNA1B Q00975 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL5866241 1.00 F2 (0.53) F2FABP1MCL1BCL2A1HTR6
Hydrochloric Acid SCHEMBL5866103 0.99 F2 (0.52) F2FABP1MCL1BCL2A1HTR6
SCHEMBL5866295 0.93 F2 (0.56) F2FABP1CACNA1BSIRT2
SCHEMBL5866290 0.93 F2 (0.56) F2FABP1CACNA1BSIRT2
Hydrochloric Acid SCHEMBL5866268 0.92 F2 (0.55) F2FABP1CACNA1BSIRT2
SCHEMBL7421803 0.87 F2 (0.48) F2FABP1MCL1BCL2A1HTR6
SCHEMBL7606359 0.87 F2 (0.48) F2FABP1MCL1BCL2A1HTR6
SCHEMBL5866380 0.87 F2 (0.62) F2MCL1BCL2A1HTR6
SCHEMBL5866388 0.87 F2 (0.62) F2MCL1BCL2A1HTR6
SCHEMBL5866286 0.86 SIRT2 (0.45) SIRT2

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
JP-2000515505-A 2000-11-21 JP claimed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 EP claimed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 WO claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 EP 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 2/4885FABP1 790/4885MCL1 1433/4885

“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.