SCHEMBL4042002

SCHEMBL4042002

CCN(CC)c1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 1/20 0.39
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
CCR1 P32246 1/20 0.35
CA2 P00918 2/20 0.35

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
SCHEMBL4038867 0.93 CTSK (0.66) CTSKCTSSCA1CA12CA9
SCHEMBL4040962 0.92 CTSK (0.64) CTSKCTSSCA1CA12CA9
SCHEMBL4039481 0.91 CTSK (0.56) CTSKCTSSCA1CA12CA9
SCHEMBL4039382 0.90 CTSK (0.53) CTSKCTSSCA1CA12CA9
SCHEMBL4045514 0.89 CTSK (0.55) CTSKCTSSCA1CA12CA9
SCHEMBL4045856 0.89 CTSK (0.65) CTSKCTSSPREPFAPDPP8
SCHEMBL4039936 0.88 CTSK (0.53) CTSKCTSSPREPFAPDPP8
SCHEMBL4040520 0.87 CTSK (0.71) CTSKCTSSCA1CA12CA9
SCHEMBL4042243 0.87 CTSK (0.58) CTSKCTSS
SCHEMBL4045147 0.87 CTSK (0.56) CTSKCTSSCA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635641-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-25 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-7427637-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2008-09-23 US claimed
US-20060142278-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-06-29 US claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1635641-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-25 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7427637-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2008-09-23 US disclosed
US-20060142278-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2006-06-29 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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 (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-20060142278-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18A CTSK 1676/4885CTSS 2293/4885CA1 3634/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CA1 60/4885

“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.