SCHEMBL5529192

SCHEMBL5529192

CN(C#N)C(=O)[C@H](CCc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CTSL P07711 7/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 4/20 0.52
CTSB P07858 4/20 0.49
CTSF Q9UBX1 1/20 0.49
CTSG P08311 3/20 0.47
CTRB1 P17538 3/20 0.47
PRSS1 P07477 2/20 0.47
CMA1 P23946 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSP90AA1 P07900 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
SCHEMBL5527592 0.93 CTSL (0.50) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5517750 0.87 CTSL (0.64) CTSLCTSSCTSKCTSBCTSF
SCHEMBL6021764 0.87 CTSL (0.64) CTSLCTSSCTSKCTSBCTSF
SCHEMBL5924835 0.86 CTSB (0.47) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5924862 0.86 CTSB (0.47) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL6255589 0.84 CTSB (0.47) KMT2AMEN1HTTSMN1; SMN2CTSL
SCHEMBL5524025 0.84 LMNA (0.52) KMT2AMEN1CTSLCTSSCTSK
SCHEMBL5526372 0.84 MEN1 (0.55) KMT2AMEN1CTSLCTSSCTSK
SCHEMBL6063169 0.84 CTSL (0.52) HPGDKMT2AMEN1CTSLCTSS
SCHEMBL7560030 0.83 CTSL (0.47) KMT2AMEN1CTSLCTSSCTSK

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 HPGD 541/4885KMT2A 2983/4885MEN1 3977/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885KMT2A 2983/4885MEN1 3977/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HPGD 541/4885KMT2A 2983/4885MEN1 3977/4885

“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.