SCHEMBL6795786

SCHEMBL6795786

N#C[CH]CSCc1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
HTT P42858 1/20 0.40
PARP10 Q53GL7 7/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 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
SCHEMBL6801017 0.81 HTT (0.37) KMT2AMEN1RAB9AHTTCA12
SCHEMBL6807035 0.73 SIRT1 (0.37) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6796241 0.72 PARP10 (0.50) KMT2APLA2G10PLA2G2APARP10CA1
SCHEMBL20715671 0.69 NPC1 (0.73) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL1032852 0.69 PLA2G10 (0.52) KMT2AMEN1SMN1; SMN2PLA2G10PLA2G2A
SCHEMBL13687230 0.68 PLA2G10 (0.55) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL21955447 0.68 MEN1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL27744247 0.66 PLA2G10 (0.53) KMT2AMEN1NPC1RAB9AKDM4E
Terephthalamide SCHEMBL7508927 0.66 PARP1 (0.67) KMT2ASMN1; SMN2PLA2G10PLA2G2APARP10
SCHEMBL8032146 0.66 ALDH1A1 (0.48) KMT2AMEN1KDM4ESMN1; SMN2CA12

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885MEN1 2882/4885NPC1 239/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885MEN1 2882/4885NPC1 239/4885

“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.