SCHEMBL2599708

SCHEMBL2599708

CCOc1cc(C=O)c(-c2ccc(F)c(F)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ERN1 O75460 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
GRIN2B Q13224 6/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GCK P35557 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL289510 0.80 CTSL (0.43) CTSLCTSSCTSKERN1ALDH1A1
SCHEMBL2599825 0.77 CTSL (0.43) CTSLCTSSCTSKERN1ALDH1A1
SCHEMBL2599762 0.76 CTSL (0.43) CTSLCTSSCTSKALDH1A1GAA
SCHEMBL10010397 0.68 LMNA (0.44) CTSLCTSSCTSKERN1ALDH1A1
SCHEMBL14689988 0.66 ALDH1A3 (0.42) CTSLCTSSCTSKERN1ALDH1A1
SCHEMBL2599643 0.65 ALDH1A1 (0.41) CTSLCTSSCTSKERN1ALDH1A1
SCHEMBL18733829 0.65 LMNA (0.41) ERN1ALDH1A1GAALMNAMAPT
SCHEMBL14690141 0.65 FFAR4 (0.44) ERN1ALDH1A1MAPTSSTR5
SCHEMBL3851503 0.64 NQO1 (0.45) ERN1ALDH1A1GAALMNAMAPT
SCHEMBL22439851 0.64 KLKB1 (0.36) KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 CTSL 3703/4885CTSS 3758/4885CTSK 3902/4885

“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.