SCHEMBL7045974

SCHEMBL7045974

O=C(NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C(CNC(=O)N1CCOCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.43
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
TSHR P16473 2/20 0.35
FKBP1A P62942 1/20 0.35
CTSK P43235 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 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
SCHEMBL6466282 0.88 LMNA (0.39) CTSSLMNAMAPTMEN1KMT2A
SCHEMBL7043453 0.88 LMNA (0.43) CTSSCTSLLMNAMAPTALDH1A1
SCHEMBL7183378 0.86 CTSS (0.41) CTSSCTSLCTSBLMNAMAPT
SCHEMBL6467035 0.86 LMNA (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6462894 0.85 MEN1 (0.38) CTSSCTSLCTSBLMNAMAPT
SCHEMBL7047935 0.84 LMNA (0.37) CTSSLMNAMAPTALDH1A1MEN1
SCHEMBL7049029 0.83 RAB9A (0.38) CTSSCTSLCTSBLMNAMAPT
SCHEMBL7048360 0.82 HTT (0.45) LMNAMAPTMEN1KMT2AHTT
SCHEMBL6464160 0.77 LMNA (0.39) LMNAMAPTMEN1KMT2AHTT
SCHEMBL6063094 0.76 CTSS (0.47) CTSSLMNAALDH1A1MEN1KMT2A

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 CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.