SCHEMBL19375705

SCHEMBL19375705

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CHRM3 P20309 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN4A P35499 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL18469462 0.94 MAPT (0.30) MAPT
SCHEMBL16854586 0.89 MAPT (0.34) MAPTCHRM3CYP3A4TSHRCTSV
SCHEMBL19174733 0.89 MAPT (0.34) MAPTCHRM3CYP3A4TSHRCTSV
SCHEMBL30530221 0.84 MAPT (0.34) MAPTCHRM3CYP3A4CYP1A2CYP2D6
SCHEMBL19174735 0.83 CTSK (0.36) MAPTCHRM3CYP3A4TSHRCTSV
SCHEMBL16869844 0.79 CNR1 (0.32)
SCHEMBL16819025 0.78 CNR2 (0.31)
SCHEMBL16819024 0.78 CNR2 (0.31)
SCHEMBL19174759 0.71 ALDH1A1 (0.33) ATML3MBTL1ALDH1A1
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-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2017-09-21 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 (2 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-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 MAPT 4619/4885CHRM3 4819/4885CYP3A4 652/4885
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 MAPT 2270/4885CHRM3 3802/4885CYP3A4 455/4885

“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.