SCHEMBL5526546

SCHEMBL5526546

N#CCNC(=O)C(CNC(=O)c1cc2ccccc2o1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
OPRK1 P41145 1/20 0.46
CTSS P25774 1/20 0.46
MMP13 P45452 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL5525342 0.81 CTSL (0.60) RAB9ASMN1; SMN2ALDH1A1CTSS
SCHEMBL5525451 0.81 CTSL (0.49) RAB9ASMN1; SMN2CTSSSLC6A2SLC6A4
SCHEMBL5528238 0.81 CTSL (0.54) RAB9ASMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5526540 0.80 CTSL (0.68) RAB9AALDH1A1POLBMEN1KMT2A
SCHEMBL5530581 0.78 OPRM1 (0.64) RAB9ACTSSSLC6A2SLC6A4
SCHEMBL7561473 0.78 CTSK (0.48) SMN1; SMN2MEN1KMT2ACTSS
SCHEMBL7562354 0.78 CTSL (0.48) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5529224 0.77 NPC1 (0.50) RAB9ASMN1; SMN2HPGDPOLBCTSS
SCHEMBL7478528 0.77 CTSL (0.52) RAB9ACTSSL3MBTL1NPC1
SCHEMBL5529707 0.77 PREP (0.51) CTSS

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 RAB9A 2240/4885SMN1; SMN2 3462/4885TP53 365/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 RAB9A 2240/4885SMN1; SMN2 3462/4885TP53 365/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 RAB9A 2240/4885SMN1; SMN2 3462/4885TP53 365/4885

“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.