SCHEMBL4679645

SCHEMBL4679645

C[C@H](N)C(=O)NNC(=O)NCCc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.55
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TAAR1 Q96RJ0 2/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CTSC P53634 1/20 0.45
BRD4 O60885 1/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL4678946 1.00 ADAM17 (0.55) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL17152365 0.80 ADAM17 (0.56) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10423048 0.80 ADAM17 (0.52) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10423047 0.80 ADAM17 (0.52) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7904577 0.79 ADAM17 (0.64) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4677528 0.78 KMT2A (0.58) NPC1RAB9AOPRM1
SCHEMBL4677539 0.78 KMT2A (0.58) NPC1RAB9AOPRM1
SCHEMBL21493485 0.77 NPC1 (0.62) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL9208913 0.76 ADAM17 (0.61) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL26333613 0.76 NPC1 (0.60) ADAM17NPC1RAB9ASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 ADAM17 147/4885NPC1 943/4885RAB9A 1434/4885

“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.