SCHEMBL204925

SCHEMBL204925

CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1)N(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.39
NR1I2 O75469 2/20 0.36
CYP3A4 P08684 4/20 0.35
CYP2C9 P11712 4/20 0.35
KCNH2 Q12809 3/20 0.35
ABCB11 O95342 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP1A2 P05177 2/20 0.33
PDF Q9HBH1 1/20 0.33
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
CYP2D6 P10635 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL204930 0.92 CYP3A4 (0.40) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL18022547 0.92 NR1I2 (0.39) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL15368522 0.88 PRCP (0.42) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL3763658 0.85 CYP3A4 (0.46) PRCPNR1I2CYP3A4CYP2C9KCNH2
Hydrochloric Acid SCHEMBL203561 0.83 CYP3A4 (0.37) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL204788 0.82 CYP3A4 (0.57) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL15368433 0.82 CYP3A4 (0.57) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL2707557 0.82 CYP3A4 (0.57) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL1293944 0.82 NR1I2 (0.35) PRCPNR1I2CYP3A4CYP2C9KCNH2
SCHEMBL204040 0.81 CYP3A4 (0.38) PRCPNR1I2CYP3A4CYP2C9KCNH2

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
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885NR1I2 3435/4885CYP3A4 1770/4885

“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.