SCHEMBL4584286

SCHEMBL4584286

CS(=O)(=O)c1ccc2nc(Br)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ACP1 P24666 1/20 0.53
ILK Q13418 1/20 0.52
CLK1 P49759 3/20 0.51
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL12799099 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL9305987 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL686784 0.81 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL1747940 0.81 MEN1 (0.59) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL28217860 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL13341104 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL10220041 0.79 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL10271483 0.79 NPC1 (0.56) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL11227301 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDNPC1
SCHEMBL2852735 0.78 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HPGDNPC1

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO 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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 ALDH1A1 1789/4885KMT2A 1113/4885MEN1 3039/4885

“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.