SCHEMBL7044329

SCHEMBL7044329

CC(C)(NC(=O)C(CNC(=O)N1CCOCC1)S(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 6/20 0.37
MMP8 P22894 1/20 0.36
LIPC P11150 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MAPK1 P28482 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
SCHEMBL7042156 0.90 CTSS (0.36) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6464319 0.88 SMN1; SMN2 (0.37) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6462497 0.84 CTSS (0.50) KDM4ECTSS
SCHEMBL7044326 0.84 CTSS (0.50) KDM4ECTSS
SCHEMBL7043175 0.82 DAGLA (0.46) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL7187232 0.82 CTSS (0.38) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6467366 0.82 DAGLA (0.47) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL7045927 0.81 CTSS (0.38) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6063234 0.81 KDM4E (0.37) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL6463188 0.81 DAGLA (0.48) KDM4EALDH1A1MEN1HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 2918/4885ALDH1A1 3027/4885MEN1 4023/4885

“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.