SCHEMBL7116249

SCHEMBL7116249

O=C(CCCCCNC(=O)C(CCS(=O)(=O)c1ccccc1)NC(=O)N1CCOCC1)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
CES1 P23141 2/20 0.45
DAGLA Q9Y4D2 1/20 0.45
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR2 P21452 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
CTSB P07858 3/20 0.39
CTSL P07711 2/20 0.39
CTSS P25774 8/20 0.39
KDM4E B2RXH2 1/20 0.38
CTSK P43235 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CTSH P09668 1/20 0.37
CTSC P53634 1/20 0.37

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
SCHEMBL6062273 0.85 FAAH (0.44) FAAHCES1DAGLARAB9ASMN1; SMN2
SCHEMBL7116243 0.82 CTSS (0.49) CTSSCYP3A4CYP2C9
SCHEMBL6634123 0.82 DAGLA (0.53) FAAHCES1DAGLACTSS
SCHEMBL6463188 0.80 DAGLA (0.48) FAAHCES1DAGLATACR2KDM4E
SCHEMBL5731270 0.79 TACR2 (0.43) FAAHCES1DAGLATACR2CTSB
SCHEMBL6467366 0.79 DAGLA (0.47) FAAHCES1DAGLATACR2KDM4E
SCHEMBL6063819 0.78 TACR2 (0.37) FAAHCES1DAGLATACR2SIRT2
SCHEMBL7116237 0.78 CTSS (0.41) POLBRAB9ASMN1; SMN2CTSBCTSL
SCHEMBL6466976 0.77 FAAH (0.40) FAAHCES1DAGLASMN1; SMN2KDM4E
SCHEMBL7043175 0.77 DAGLA (0.46) FAAHCES1DAGLATACR2CTSS

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 FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.