SCHEMBL9980150

SCHEMBL9980150

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(C2CC3SC(B4OC(C)(C)C(C)(C)O4)=CC3S2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NR1I2 O75469 2/20 0.33
LMNA P02545 2/20 0.33
ABCB11 O95342 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
PRCP P42785 1/20 0.31
HPGDS O60760 1/20 0.31
PTGES O14684 2/20 0.30
UCHL1 P09936 1/20 0.30

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
SCHEMBL9980357 0.84 UCHL1 (0.36) USP30ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL203375 0.81 CYP3A4 (0.37) USP30ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL2706060 0.81 CYP3A4 (0.37) USP30ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL16006323 0.78 USP30 (0.43) USP30ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL2706319 0.72 CYP3A4 (0.48) USP30CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL203309 0.72 CYP3A4 (0.48) USP30CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL204943 0.72 CYP3A4 (0.48) USP30CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15692856 0.72 HPGDS (0.40) USP30ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL15083853 0.72 CYP3A4 (0.49) USP30CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12048228 0.71 HPGDS (0.41) USP30ALDH1A1CYP3A4CYP2C9NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 USP30 1320/4885ALDH1A1 3957/4885TSHR 4853/4885

“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.