SCHEMBL6019645

SCHEMBL6019645

N#CCCNC(=O)C(N)Cc1csc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP9 Q86TI2 2/20 0.51
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CTSC P53634 1/20 0.44
CYP2A6 P11509 2/20 0.43
MTNR1A P48039 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
JUN P05412 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
OPRD1 P41143 1/20 0.40
POLB P06746 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6019730 0.88 CTSL (0.62) DPP4DPP8DPP9CTSLCTSS
SCHEMBL6020070 0.82 CTSS (0.62) CTSLCTSSCTSKSMN1; SMN2TP53
SCHEMBL13972839 0.82 OPRD1 (0.48) DPP4DPP8DPP9CTSLCTSS
SCHEMBL6019601 0.81 CTSS (0.68) CTSLCTSSCTSKSMN1; SMN2MMP2
SCHEMBL6019756 0.81 CTSL (0.60) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020759 0.79 CTSL (0.58) CTSLCTSSCTSKTAAR1SMN1; SMN2
SCHEMBL6020946 0.79 CTSS (0.63) CTSLCTSSCTSKMMP2MMP9
SCHEMBL6020633 0.79 CTSL (0.53) CTSLCTSSCTSKTAAR1MMP2
SCHEMBL6020739 0.79 CTSS (0.60) DPP4DPP8DPP9CTSLCTSS
SCHEMBL6020780 0.79 CTSL (0.58) CTSLCTSSCTSKTAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 DPP4 4543/4885DPP8 3359/4885DPP9 2272/4885

“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.