SCHEMBL13519795

SCHEMBL13519795

CCC[C@H](NC(=O)[C@@H]1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 19/20 0.47
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
TACR3 P29371 1/20 0.42

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
SCHEMBL13451514 1.00 MCL1 (0.47) MCL1BCL2BCL2L1TACR3
SCHEMBL13521411 1.00 MCL1 (0.47) MCL1BCL2BCL2L1TACR3
SCHEMBL12676433 1.00 MCL1 (0.47) MCL1BCL2BCL2L1TACR3
SCHEMBL13521408 0.93 TACR3 (0.41) MCL1TACR3
SCHEMBL13997770 0.93 TACR3 (0.41) MCL1TACR3
SCHEMBL13521221 0.93 TACR3 (0.41) MCL1TACR3
Ammonia Solution, Strong SCHEMBL1901623 0.93 TACR3 (0.40) MCL1TACR3
SCHEMBL13997769 0.92 TACR3 (0.40) MCL1TACR3
SCHEMBL8274500 0.92 TACR3 (0.40) MCL1TACR3
SCHEMBL13521409 0.92 TACR3 (0.40) MCL1TACR3

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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-20100003216-A1 HCV NS-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2010-01-07 US disclosed
US-20080311077-A1 Antiviral Compounds GILEAD SCIENCES, INC. 2008-12-18 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-20100003216-A1 HCV NS-3 Serine Protease Inhibitors SPINT2, SF3A3, GTF3C3 MCL1 2491/4885BCL2 1815/4885BCL2L1 857/4885
US-20080311077-A1 Antiviral Compounds EIF2AK2, MAVS, ITPA MCL1 1405/4885BCL2 2536/4885BCL2L1 2610/4885

“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.