SCHEMBL5523072

SCHEMBL5523072

COc1ccccc1CC(=O)NC(CC(=O)NCC#N)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5520605 0.82 EPHX2 (0.57) HPGDHTTSIGMAR1POLB
SCHEMBL5523069 0.79 CTSS (0.63) GAAHPGD
SCHEMBL6590266 0.78 KDM4E (0.46) HPGDKMT2ALMNA
SCHEMBL5527518 0.76 EPHX2 (0.47) MEN1KMT2ALMNATSHR
SCHEMBL5524219 0.75 HIF1A (0.47) MEN1KMT2ALMNA
SCHEMBL5517798 0.74 EPHX1 (0.53) GAAHPGDHTTMEN1KMT2A
SCHEMBL3618170 0.74 CTSK (0.41) KMT2APOLB
SCHEMBL5522925 0.73 EPHX2 (0.54) MEN1KMT2ALMNATSHRTAAR1
SCHEMBL5523563 0.73 CTSK (0.39) USP2TSHRPOLBNPSR1
SCHEMBL5518398 0.73 PPARG (0.43) GAALMNATSHRPOLB

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 GAA 331/4885HPGD 541/4885HTT 3328/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GAA 331/4885HPGD 541/4885HTT 3328/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 GAA 331/4885HPGD 541/4885HTT 3328/4885

“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.