SCHEMBL5866209

SCHEMBL5866209

NN=Cc1ccc(CCSc2ccccc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MCL1 Q07820 6/20 0.47
BCL2A1 Q16548 4/20 0.47
HTR6 P50406 1/20 0.42
CCR2 P41597 1/20 0.41
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 2/20 0.39
HK1 P19367 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCL2 P10415 1/20 0.38

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
SCHEMBL5866204 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MCL1BCL2A1HTR6
Hydrochloric Acid SCHEMBL5866348 0.99 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MCL1BCL2A1HTR6
SCHEMBL5866187 0.89 MCL1 (0.44) ALDH1A1SMN1; SMN2MCL1BCL2A1HTR6
SCHEMBL5866190 0.89 MCL1 (0.44) ALDH1A1SMN1; SMN2MCL1BCL2A1HTR6
SCHEMBL5866428 0.87 MCL1 (0.41) ALDH1A1SMN1; SMN2MCL1BCL2A1CA12
SCHEMBL5866424 0.87 MCL1 (0.41) ALDH1A1SMN1; SMN2MCL1BCL2A1CA12
SCHEMBL5866284 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CA12CA9GAA
SCHEMBL5866278 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CA12CA9GAA
SCHEMBL5866205 0.83 GUSB (0.55) ALDH1A1SMN1; SMN2MCL1BCL2A1CCR2
SCHEMBL5866211 0.83 GUSB (0.55) ALDH1A1SMN1; SMN2MCL1BCL2A1CCR2

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 ALDH1A1 4316/4885SMN1; SMN2 4046/4885MCL1 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.