SCHEMBL3405232

SCHEMBL3405232

CCOc1cc(OC2CC(C(=O)O)N(C(=O)OC(C)(C)C)C2)c2cccc(Cl)c2n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.38
UCHL1 P09936 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
P2RX3 P56373 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
BCL2 P10415 5/20 0.36
BCL2L1 Q07817 3/20 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
SCHEMBL13757893 1.00 MCL1 (0.38) MCL1UCHL1HTR3EHTR3BHTR3A
SCHEMBL8275838 0.93 P2RX3 (0.36) MCL1UCHL1HTR3EHTR3BHTR3A
SCHEMBL13201738 0.85 UCHL1 (0.37) MCL1UCHL1HTR3EHTR3BHTR3A
SCHEMBL13757884 0.83 AAK1 (0.35) MCL1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8275831 0.82 CTSB (0.40) MCL1P2RX3BCL2BCL2L1
SCHEMBL8271673 0.81 HCRTR1 (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15483740 0.81 HTR3E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8275848 0.78 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL13385202 0.78 HCRTR1 (0.30) HCRTR1HCRTR2
SCHEMBL14092831 0.77 P2RX3 (0.41) MCL1UCHL1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
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
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO 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 MCL1 995/4885UCHL1 2864/4885HTR3E 3762/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MCL1 995/4885UCHL1 2864/4885HTR3E 3762/4885

“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.