SCHEMBL5522925

SCHEMBL5522925

N#CCNC(=O)CC(NC(=O)NCCc1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.54
EPHX1 P07099 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
CTSK P43235 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TAAR1 Q96RJ0 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 2/20 0.43
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL5527518 0.84 EPHX2 (0.47) EPHX2EPHX1RAB9ASMN1; SMN2TSHR
SCHEMBL5518398 0.80 PPARG (0.43) EPHX2EPHX1RAB9ATSHRCTSK
SCHEMBL5530341 0.78 EPHX1 (0.51) EPHX2EPHX1TSHR
SCHEMBL5523195 0.78 CTSK (0.42) EPHX2EPHX1CTSKCTSBCTSS
SCHEMBL5522921 0.78 CTSL (0.68) CTSKCTSBCTSSCTSL
SCHEMBL5517798 0.78 EPHX1 (0.53) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6590266 0.77 KDM4E (0.46) EPHX2SMN1; SMN2KMT2AALDH1A1CTSB
SCHEMBL5528435 0.77 EPHX1 (0.47) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5528503 0.76 ALDH1A1 (0.42) EPHX2EPHX1NPC1RAB9ACTSK
SCHEMBL3618170 0.76 CTSK (0.41) RAB9ACTSKKMT2ACTSBCTSS

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 7 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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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 (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 640/4885EPHX1 595/4885NPC1 545/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 EPHX2 640/4885EPHX1 595/4885NPC1 545/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 EPHX2 640/4885EPHX1 595/4885NPC1 545/4885

“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.