SCHEMBL5866287

SCHEMBL5866287

N/N=C\c1ccc(CCSc2ccccc2NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.47
SLC16A3 O15427 1/20 0.45
MCL1 Q07820 4/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GUSB P08236 1/20 0.42
AR P10275 1/20 0.41
HSD11B1 P28845 1/20 0.40
CCR2 P41597 6/20 0.39
ACLY P53396 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL5866291 1.00 NOD2 (0.47) NOD2SLC16A3MCL1HPGDTSHR
SCHEMBL5866211 0.90 GUSB (0.55) NOD2SLC16A3MCL1GUSBCCR2
SCHEMBL5866205 0.90 GUSB (0.55) NOD2SLC16A3MCL1GUSBCCR2
SCHEMBL5866368 0.88 GAA (0.46) NOD2GUSBARCCR2CA12
SCHEMBL5866378 0.88 GAA (0.46) NOD2GUSBARCCR2CA12
SCHEMBL5866227 0.85 CCR2 (0.42) TSHRGUSBCCR2CA12CA1
SCHEMBL5866219 0.85 CCR2 (0.42) TSHRGUSBCCR2CA12CA1
SCHEMBL5866288 0.83 SLC16A3 (0.49) NOD2SLC16A3MCL1HPGDTSHR
SCHEMBL5866209 0.81 ALDH1A1 (0.48) MCL1CCR2CA12CA1CA2
SCHEMBL5866204 0.81 ALDH1A1 (0.48) MCL1CCR2CA12CA1CA2

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 NOD2 2736/4885SLC16A3 4754/4885MCL1 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.