SCHEMBL2707148

SCHEMBL2707148

COC(=O)NC(C(=O)N1CCC[C@H]1c1ccc(-c2ccc(C#Cc3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.79
CYP2C9 P11712 6/20 0.79
KCNH2 Q12809 3/20 0.79
NR1I2 O75469 2/20 0.79
ABCB11 O95342 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 2/20 0.70

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
SCHEMBL25465883 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19324308 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2757114 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19323088 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19323309 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2710326 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10145394 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL204679 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10145545 0.94 CYP3A4 (0.88) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15993208 0.93 CYP3A4 (0.70) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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-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 (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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP3A4 1770/4885CYP2C9 3296/4885KCNH2 4228/4885

“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.