SCHEMBL5866424

SCHEMBL5866424

N/N=C\c1ccc(CCSc2ccccc2NS(=O)(=O)c2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.41
BCL2A1 Q16548 5/20 0.41
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CA2 P00918 10/20 0.38
CA1 P00915 9/20 0.38
CA9 Q16790 8/20 0.38
CA12 O43570 7/20 0.38
CA7 P43166 4/20 0.37
CA4 P22748 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5866428 1.00 MCL1 (0.41) MCL1BCL2A1BCL2BCL2L1CA2
SCHEMBL5866190 0.88 MCL1 (0.44) MCL1BCL2A1BCL2BCL2L1ALDH1A1
SCHEMBL5866187 0.88 MCL1 (0.44) MCL1BCL2A1BCL2BCL2L1ALDH1A1
SCHEMBL5866209 0.87 ALDH1A1 (0.48) MCL1BCL2A1BCL2BCL2L1CA2
SCHEMBL5866204 0.87 ALDH1A1 (0.48) MCL1BCL2A1BCL2BCL2L1CA2
Hydrochloric Acid SCHEMBL5866348 0.86 ALDH1A1 (0.47) MCL1BCL2A1BCL2BCL2L1CA2
SCHEMBL5866217 0.85 MCL1 (0.38) MCL1BCL2A1CA2CA1CA9
SCHEMBL5866214 0.85 MCL1 (0.38) MCL1BCL2A1CA2CA1CA9
SCHEMBL5866278 0.84 ALDH1A1 (0.48) CA9CA12ALDH1A1HTTSMN1; SMN2
SCHEMBL5866284 0.84 ALDH1A1 (0.48) CA9CA12ALDH1A1HTTSMN1; SMN2

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-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
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 911/4885BCL2 2980/4885

“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.