SCHEMBL17816593

SCHEMBL17816593

CCCCCC(CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
SIRT2 Q8IXJ6 10/20 0.53
SIRT1 Q96EB6 7/20 0.53
CTRB1 P17538 2/20 0.53
SIRT3 Q9NTG7 4/20 0.53
SYK P43405 1/20 0.51
MBOAT4 Q96T53 1/20 0.49

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
SCHEMBL8367591 0.99 SIRT2 (0.55) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL27110955 0.90 SYK (0.59) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL31191871 0.88 SIRT2 (0.57) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL19050939 0.88 CTSL (0.56) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL28563462 0.88 SYK (0.58) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL27110953 0.87 CTSL (0.55) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL17816595 0.87 CTSL (0.55) CTSLCTSSSIRT2SIRT1CTRB1
SCHEMBL19345761 0.87 CTRB1 (0.53) SIRT2SIRT1CTRB1SIRT3
SCHEMBL9574175 0.87 CASP1 (0.60) CTRB1SYK
SCHEMBL7065592 0.86 CTRB1 (0.50) CTSLCTSSCTRB1SYK

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-20170260177-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
WO-2016089721-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 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-20170260177-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CTSL 4146/4885CTSS 3379/4885SIRT2 980/4885

“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.