SCHEMBL6462894

SCHEMBL6462894

O=C(NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
CTSB P07858 3/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 8/20 0.34
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL6462741 0.87 FAAH (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7046906 0.86 MAPT (0.43) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL7045974 0.85 CTSS (0.43) MEN1KMT2AALDH1A1HTTFKBP1A
SCHEMBL7049542 0.82 MAPT (0.40) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL6063046 0.79 LMNA (0.36) MEN1KMT2AHTTLMNACTSL
SCHEMBL7044329 0.78 KDM4E (0.38) MEN1KMT2AALDH1A1HTTMMP1
SCHEMBL7043175 0.78 DAGLA (0.46) MEN1KMT2AALDH1A1HTTMMP1
SCHEMBL6467366 0.77 DAGLA (0.47) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL7045927 0.77 CTSS (0.38) MEN1KMT2AALDH1A1HTTUSP2
SCHEMBL6463188 0.77 DAGLA (0.48) MEN1KMT2AALDH1A1HTTLIPC

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES 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 (1 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ MEN1 4023/4885KMT2A 3705/4885ALDH1A1 3027/4885

“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.