SCHEMBL9980357

SCHEMBL9980357

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.36
ALDH1A1 P00352 4/20 0.34
USP30 Q70CQ3 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
HPGDS O60760 2/20 0.34
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PRCP P42785 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9980150 0.84 USP30 (0.34) UCHL1ALDH1A1USP30CYP3A4CYP2C9
SCHEMBL205434 0.79 HPGDS (0.41) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL2707537 0.79 HPGDS (0.41) UCHL1ALDH1A1CYP3A4CYP2C9NR1I2
SCHEMBL10278871 0.79 CYP3A4 (0.42) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12048228 0.78 HPGDS (0.41) UCHL1ALDH1A1USP30CYP3A4CYP2C9
SCHEMBL45250 0.76 UCHL1 (0.44) UCHL1ALDH1A1USP30CYP3A4CYP2C9
SCHEMBL45280 0.76 UCHL1 (0.44) UCHL1ALDH1A1USP30CYP3A4CYP2C9
SCHEMBL2711186 0.76 UCHL1 (0.44) UCHL1ALDH1A1USP30CYP3A4CYP2C9
SCHEMBL21163741 0.75 HPGDS (0.45) ALDH1A1CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12139802 0.74 HPGDS (0.51) ALDH1A1CYP3A4CYP2C9NR1I2ABCB11

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 UCHL1 2864/4885ALDH1A1 3957/4885USP30 1320/4885

“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.