SCHEMBL7114802

SCHEMBL7114802

COc1ccccc1CS(=O)(=O)C(CNC(=O)N1CCOCC1)C(=O)NCCC(C(=O)c1nc2ccccc2o1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
CTSS P25774 3/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
S1PR2 O95136 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6464598 0.93 CTSS (0.35) LMNAMAPTCTSSALDH1A1SMN1; SMN2
SCHEMBL7187232 0.89 CTSS (0.38) LMNACTSSALDH1A1SMN1; SMN2MEN1
SCHEMBL6461887 0.87 DRD2 (0.41) LMNAMAPTDRD2ADRA1ADRD3
SCHEMBL7045925 0.86 CTSS (0.36) LMNACTSSALDH1A1SMN1; SMN2MEN1
SCHEMBL6468767 0.80 CTSS (0.36) CTSSALDH1A1KDM4E
SCHEMBL7044831 0.80 CTSS (0.36) CTSSALDH1A1KDM4E
SCHEMBL7045927 0.80 CTSS (0.38) CTSSALDH1A1MEN1KMT2AKDM4E
SCHEMBL6467763 0.79 FAAH (0.36) LMNAMAPTCTSSDRD2ADRA1A
SCHEMBL6467525 0.78 CTSS (0.35) LMNAMAPTCTSSALDH1A1SMN1; SMN2
SCHEMBL6063913 0.78 FAAH (0.37) LMNAMAPTCTSSDRD2ADRA1A

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 LMNA 1755/4885MAPT 2414/4885CTSS 9/4885

“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.