SCHEMBL7879499

SCHEMBL7879499

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc3ccccc3n2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MMP9 P14780 7/20 0.53
ADAMTS4 O75173 3/20 0.52
MMP2 P08253 8/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.51
MMP3 P08254 1/20 0.51
MMP13 P45452 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.46

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
SCHEMBL19015948 0.87 NPY5R (0.49) TDP1MMP9ADAMTS4MMP2KDM4E
SCHEMBL7890390 0.87 ADAMTS4 (0.57) MMP9ADAMTS4MMP2KDM4EGFER
SCHEMBL18473182 0.87 ADAMTS4 (0.57) MMP9ADAMTS4MMP2KDM4EGFER
SCHEMBL19015758 0.84 KDM4E (0.53) ADAMTS4MMP2KDM4EGFERALDH1A1
SCHEMBL19015893 0.83 KDM4E (0.55) ADAMTS4KDM4EGFERALDH1A1
SCHEMBL19407479 0.83 KDM4E (0.52) ADAMTS4KDM4EGFERALDH1A1MAPT
SCHEMBL21458999 0.83 KDM4E (0.52) ADAMTS4KDM4EGFERALDH1A1MAPT
SCHEMBL29858116 0.83 KDM4E (0.52) ADAMTS4KDM4EGFERALDH1A1MAPT
SCHEMBL16058523 0.80 TDP1 (0.58) TDP1MMP9ADAMTS4MMP2MMP3
SCHEMBL21885546 0.80 TDP1 (0.58) TDP1MMP9ADAMTS4MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167313-B2 Selective caspase inhibitors and uses thereof GENESIS TECHNOLOGIES LIMITED (BB) 2019-01-01 US disclosed
EP-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 EP disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 US disclosed
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-04-27 US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-9562069-B2 Selective caspase inhibitors and uses thereof NEW WORLD LABORATORIES INC. (CA) 2017-02-07 US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-9045524-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2015-06-02 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2015-01-08 US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 US disclosed
US-8791235-B2 Selective caspase inhibitors and uses thereof NOVAGENESIS FOUNDATION (CH) 2014-07-29 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES, INC. (CA) 2012-06-21 US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 US disclosed
US-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof GENESIS TECHNOLOGIES LIMITED (BB) 2011-03-31 US disclosed
WO-2010133000-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2010-11-25 WO disclosed
WO-2009140765-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF NEW WORLD LABORATORIES INC. (CA) 2009-11-26 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 (5 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-20110077190-A1 Selective Caspase Inhibitors and Uses Thereof CASP3, CASP1, HTRA2 TDP1 844/4885MMP9 145/4885ADAMTS4 322/4885
US-20150011458-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, HTRA2 TDP1 844/4885MMP9 145/4885ADAMTS4 322/4885
US-20120157394-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, VIP, CASP5 TDP1 629/4885MMP9 128/4885ADAMTS4 166/4885
US-20170114092-A1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP5 TDP1 582/4885MMP9 91/4885ADAMTS4 208/4885
US-10167313-B2 Selective caspase inhibitors and uses thereof CASP1, CASP3, CASP5 TDP1 582/4885MMP9 91/4885ADAMTS4 208/4885

“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.