SCHEMBL9980237

SCHEMBL9980237

CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2ccc([Si](C)(C)C)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 6/20 0.45
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1I2 O75469 2/20 0.42
KCNH2 Q12809 2/20 0.42
ABCB11 O95342 1/20 0.42
OPRK1 P41145 1/20 0.42
HPGDS O60760 3/20 0.41
SSTR3 P32745 1/20 0.36

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
SCHEMBL883052 0.93 PRCP (0.48) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2708425 0.90 PRCP (0.51) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL205053 0.90 PRCP (0.51) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL12295933 0.89 PRCP (0.45) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL12159971 0.87 CYP3A4 (0.53) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL203457 0.87 PRCP (0.43) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL2706903 0.87 PRCP (0.43) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL12098483 0.86 PRCP (0.42) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL8748970 0.86 PRCP (0.42) PRCPCYP3A4CYP2C9CYP1A2CYP2D6
SCHEMBL12098745 0.85 PRCP (0.46) PRCPCYP3A4CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (3 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885CYP3A4 1770/4885CYP2C9 3296/4885

“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.