SCHEMBL5866217

SCHEMBL5866217

NN=Cc1ccc(CCSc2ccccc2NS(=O)(=O)c2cc(Br)ccc2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.38
BCL2A1 Q16548 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 8/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 8/20 0.38
CA3 P07451 4/20 0.38
CA4 P22748 4/20 0.38
CA6 P23280 4/20 0.38
CA7 P43166 4/20 0.38
CA13 Q8N1Q1 4/20 0.38
CA14 Q9ULX7 4/20 0.38
CA5B Q9Y2D0 4/20 0.38
CA5A P35218 3/20 0.38
PTGES2 Q9H7Z7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
CCR2 P41597 1/20 0.33
GUSB P08236 1/20 0.33

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
SCHEMBL5866214 1.00 MCL1 (0.38) MCL1BCL2A1MEN1KMT2ACA12
SCHEMBL5866255 0.88 GAA (0.46) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5866259 0.88 GAA (0.46) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5866428 0.85 MCL1 (0.41) MCL1BCL2A1MEN1KMT2ACA12
SCHEMBL5866424 0.85 MCL1 (0.41) MCL1BCL2A1MEN1KMT2ACA12
SCHEMBL5866187 0.85 MCL1 (0.44) MCL1BCL2A1PTGES2CCR2SMN1; SMN2
SCHEMBL5866190 0.85 MCL1 (0.44) MCL1BCL2A1PTGES2CCR2SMN1; SMN2
SCHEMBL5866215 0.83 MCL1 (0.40) MCL1BCL2A1MEN1KMT2ACA12
SCHEMBL5866211 0.82 GUSB (0.55) MCL1BCL2A1MEN1KMT2ACA12
SCHEMBL5866205 0.82 GUSB (0.55) MCL1BCL2A1MEN1KMT2ACA12

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 MCL1 1433/4885BCL2A1 911/4885MEN1 979/4885

“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.