SCHEMBL5866378

SCHEMBL5866378

COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SCCc2ccc(C=NN)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
NOD2 Q9HC29 1/20 0.44
GUSB P08236 1/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCR2 P41597 2/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL5866368 1.00 GAA (0.46) GAANOD2GUSBALDH1A1MAPT
SCHEMBL7609965 0.89 GAA (0.43) GAANOD2GUSBALDH1A1MAPT
SCHEMBL7609945 0.89 GAA (0.43) GAANOD2GUSBALDH1A1MAPT
SCHEMBL5866287 0.88 NOD2 (0.47) NOD2GUSBCA12CA1CA2
SCHEMBL5866291 0.88 NOD2 (0.47) NOD2GUSBCA12CA1CA2
SCHEMBL5866211 0.86 GUSB (0.55) GAANOD2GUSBALDH1A1MAPT
SCHEMBL5866205 0.86 GUSB (0.55) GAANOD2GUSBALDH1A1MAPT
SCHEMBL5866372 0.84 GAA (0.46) GAANOD2GUSBALDH1A1MAPT
SCHEMBL7609955 0.82 GAA (0.44) GAANOD2GUSBALDH1A1MAPT
SCHEMBL5866325 0.81 SMN1; SMN2 (0.52) GAAALDH1A1MAPTSMN1; SMN2NPSR1

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 7 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

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 GAA 515/4885NOD2 2736/4885GUSB 1444/4885

“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.