SCHEMBL4039382

SCHEMBL4039382

CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.53
CTSS P25774 1/20 0.42
CA2 P00918 2/20 0.39
CA1 P00915 2/20 0.39
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL4039127 0.92 CTSK (0.61) CTSKCTSSCA2CA1CCR1
SCHEMBL4045856 0.91 CTSK (0.65) CTSKCTSSPREPFAPDPP8
SCHEMBL4040525 0.91 CTSK (0.53) CTSKCTSSCA2CA1POLB
SCHEMBL4038867 0.90 CTSK (0.66) CTSKCTSSCA2CA1CA12
SCHEMBL4039936 0.90 CTSK (0.53) CTSKCTSSPREPFAPDPP8
SCHEMBL4042002 0.90 CTSK (0.56) CTSKCTSSCA2CA1CA12
SCHEMBL4042230 0.89 CTSK (0.52) CTSKCTSSCA2CA1POLB
SCHEMBL4040000 0.88 CTSK (0.53) CTSKCTSS
SCHEMBL4045771 0.88 CTSK (0.61) CTSKCTSS
SCHEMBL4042258 0.88 CTSK (0.51) CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP claimed
EP-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
WO-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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 (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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CA2 171/4885

“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.