SCHEMBL5529197

SCHEMBL5529197

N#CCNC(=O)C(CCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
CTSL P07711 8/20 0.52
CTSS P25774 8/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 6/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL5527601 0.92 EPHX2 (0.54) EPHX2CTSLCTSSCTSKCTSB
SCHEMBL5517758 0.86 CTSK (0.61) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5526376 0.81 EPHX2 (0.52) EPHX2CTSLCTSSCTSKCTSB
SCHEMBL29182093 0.81 EPHX2 (0.73) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL6264972 0.80 CTSS (0.57) CTSLCTSSCTSKCTSBPOLB
SCHEMBL5527069 0.80 EPHX2 (0.51) EPHX2CTSLCTSSCTSKCTSB
SCHEMBL6201741 0.80 EPHX2 (0.71) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL6443540 0.79 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5529775 0.79 CTSK (0.60) CTSLCTSSCTSKCTSBNPC1
SCHEMBL2863808 0.79 GAA (0.61) CTSLCTSSCTSKCTSBSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 EPHX2 640/4885CTSL 14/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 EPHX2 640/4885CTSL 14/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 EPHX2 640/4885CTSL 14/4885CTSS 10/4885

“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.