SCHEMBL3618544

SCHEMBL3618544

CCSC=NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.44
PSIP1 O75475 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.37
DDAH1 O94760 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
S1PR4 O95977 1/20 0.36
PKM P14618 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
OPRK1 P41145 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
SCHEMBL1564087 0.84 LMNA (0.53) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL1179641 0.83 GAA (0.46) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1178745 0.80 ALDH1A1 (0.52) KMT2AALDH1A1MAPTNPSR1HTT
SCHEMBL11297030 0.79 KMT2A (0.54) KMT2AALDH1A1LMNAKDM4EMAPT
SCHEMBL3338421 0.77 HSD11B1 (0.36) HSD11B1
SCHEMBL14399470 0.72 ALDH1A1 (0.51) KMT2AALDH1A1PSIP1LMNAKDM4E
SCHEMBL12580250 0.72 ALDH1A1 (0.51) KMT2AALDH1A1PSIP1LMNAKDM4E
SCHEMBL1178964 0.72 CA2 (0.47) ALDH1A1LMNA
SCHEMBL31530734 0.70 TDP1 (0.45) KMT2AALDH1A1PSIP1LMNAKDM4E
SCHEMBL5605632 0.69 ALDH1A1 (0.42) KMT2AALDH1A1PSIP1LMNAKDM4E

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-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-6596863-B2 Matrix metalloproteinase inhibitor is useful as an anticancer agent, angiogenesis inhibitor, a tumor cell infiltration inhibitor or a tumor metastasis inhibitor; inflammatory diseases, osteoarthritis, rheumatoid arthritis ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-07-22 US disclosed
US-20020198184-A1 Medical composition containing nitroetheneamine derivative or salt thereof as active constituent ISHIHARA SANGYO KAISHA LTD. (JP) 2002-12-26 US disclosed
US-6451792-B1 MATRIX METALLOPROTEASE INHIBITORS ISHIHARA SANGYO KAISHA LTD. (JP) 2002-09-17 US disclosed
EP-1116486-A1 MEDICAL COMPOSITION CONTAINING NITROETHENEAMINE DERIVATIVE OR SALT THEREOF AS ACTIVE CONSTITUENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-07-18 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 (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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS KMT2A 4394/4885ALDH1A1 4189/4885PSIP1 1397/4885
US-20020198184-A1 Medical composition containing nitroetheneamine derivative or salt thereof as active constituent NR3C2, NR3C1, CNR1 KMT2A 2432/4885ALDH1A1 1194/4885PSIP1 4885/4885

“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.