SCHEMBL16854586

SCHEMBL16854586

C=CC[C@@H]1C[C@H]1OC(=O)N[C@H](C(=O)OCC(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CTSV O60911 2/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CHRM3 P20309 1/20 0.33
BCHE P06276 1/20 0.32
CYP3A4 P08684 4/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.32
CTRB1 P17538 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL19174733 1.00 MAPT (0.34) MAPTCTSVCTSLCTSSCTSK
SCHEMBL19375705 0.89 MAPT (0.33) MAPTCTSVCTSLCTSSCTSK
SCHEMBL19174735 0.85 CTSK (0.36) MAPTCTSVCTSLCTSSCTSK
SCHEMBL18469462 0.84 MAPT (0.30) MAPT
SCHEMBL30530221 0.83 MAPT (0.34) MAPTCTSVCTSLCTSSCTSK
SCHEMBL16869844 0.80 CNR1 (0.32)
SCHEMBL16819024 0.78 CNR2 (0.31)
SCHEMBL16819025 0.78 CNR2 (0.31)
SCHEMBL19174759 0.70 ALDH1A1 (0.33) BCHEALDH1A1
SCHEMBL1260916 0.69 CNR1 (0.32)

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-9562058-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2017-02-07 US disclosed
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 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-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 MAPT 2270/4885CTSV 99/4885CTSL 498/4885

“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.