SCHEMBL13615341

SCHEMBL13615341

CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 3/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
UQCRB P14927 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C19 P33261 1/20 0.71
PKM P14618 1/20 0.67
KEAP1 Q14145 2/20 0.66
IL1RN P18510 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
HDAC3 O15379 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
RORA P35398 1/20 0.63
NR1H3 Q13133 1/20 0.62

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
SCHEMBL12042475 0.93 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL812679 0.91 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL810795 0.84 KMT2A (0.91) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL13433558 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL1040954 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL20657557 0.83 KMT2A (1.00) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL95623 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL7178237 0.83 UQCRB (1.00) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL27811906 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTCA1
SCHEMBL15740331 0.83 KMT2A (1.00) ALDH1A1MEN1KMT2AMAPTCA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD 2015-01-22 US disclosed
US-8859505-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-14 US disclosed
US-8853281-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-07 US disclosed
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2013-07-04 US disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US disclosed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 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 (4 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV ALDH1A1 2668/4885MEN1 4333/4885KMT2A 2827/4885
US-20150025250-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 ALDH1A1 1927/4885MEN1 3374/4885KMT2A 2611/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK ALDH1A1 2121/4885MEN1 1920/4885KMT2A 439/4885
US-20130172232-A1 CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTRB1 ALDH1A1 1927/4885MEN1 3374/4885KMT2A 2611/4885

“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.