SCHEMBL13757883

SCHEMBL13757883

CCOc1cc(O[C@@H]2C[C@@H](C(=O)OC)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCOCC3)C2)c2cccc(Cl)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
P2RX3 P56373 1/20 0.33
CYP3A4 P08684 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCC2 Q92887 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CDK9 P50750 1/20 0.32
ELANE P08246 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCL1 Q07820 5/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL13757884 0.94 AAK1 (0.35) AAK1CYP3A4ABCC1ABCC2ABCG2
SCHEMBL15483741 0.88 HTR3E (0.35) ABCC1ABCC2ABCG2IRAK4HTR3E
SCHEMBL13757882 0.88 ABCC1 (0.43) AAK1CYP3A4ABCC1ABCC2ABCG2
SCHEMBL3370697 0.88 ABCC1 (0.43) AAK1CYP3A4ABCC1ABCC2ABCG2
SCHEMBL3373357 0.87 ABCC1 (0.47) AAK1CYP3A4ABCC1ABCC2ABCG2
SCHEMBL13757606 0.83 CYP3A4 (0.41) CYP3A4ABCC1ABCC2ABCG2ELANE
SCHEMBL8130990 0.82 ABCC1 (0.40) CYP3A4ABCC1ABCC2ABCG2ELANE
SCHEMBL13763765 0.81 ABCC1 (0.42) AAK1CYP3A4ABCC1ABCC2ABCG2
SCHEMBL15483740 0.81 HTR3E (0.38) ABCC1ABCC2ABCG2IRAK4HTR3E
SCHEMBL8139967 0.80 ELANE (0.39) CYP3A4ABCC1ABCC2ABCG2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885P2RX3 2759/4885CYP3A4 1770/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885P2RX3 2759/4885CYP3A4 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.