SCHEMBL15699255

SCHEMBL15699255

COc1ccc([C@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)N(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
ACHE P22303 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AOC3 Q16853 1/20 0.36
CNR2 P34972 1/20 0.35
PLAU P00749 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18500324 1.00 ABCB1 (0.38) ABCB1ACHECA1CA2PRKCA
SCHEMBL17211437 0.92 ABCB1 (0.39) ABCB1PRKCAPRKCDALDH1A1PLAU
SCHEMBL17211435 0.92 ABCB1 (0.39) ABCB1PRKCAPRKCDALDH1A1PLAU
SCHEMBL15697199 0.92 ABCB1 (0.39) ABCB1PRKCAPRKCDALDH1A1PLAU
SCHEMBL15675113 0.88 ALDH1A1 (0.38) ACHEALDH1A1HSD17B10CNR2TDP1
SCHEMBL17211436 0.85 ABCB1 (0.41) ABCB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL15697201 0.85 ABCB1 (0.41) ABCB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL15674715 0.85 ABCB1 (0.41) ABCB1ALDH1A1HSD17B10L3MBTL1
SCHEMBL17212850 0.81 ABCB1 (0.38) ABCB1ACHECA1CA2PRKCA
SCHEMBL17212858 0.81 ABCB1 (0.38) ABCB1ACHECA1CA2PRKCA

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-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 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-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B ABCB1 724/4885ACHE 4047/4885CA1 1618/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS ABCB1 910/4885ACHE 3911/4885CA1 2001/4885

“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.