SCHEMBL17211461

SCHEMBL17211461

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PLAU P00749 1/20 0.44
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
CTSK P43235 2/20 0.43
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.42
CNR2 P34972 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CTSB P07858 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL17212845 1.00 ATM (0.49) ATMCA1CA2ACHEITGB3
SCHEMBL15697205 1.00 ATM (0.49) ATMCA1CA2ACHEITGB3
SCHEMBL18500290 1.00 ATM (0.49) ATMCA1CA2ACHEITGB3
SCHEMBL17211434 0.90 ITGB3 (0.42) ATMITGB3ITGA2BPLAUCTSL
SCHEMBL17211438 0.90 ITGB3 (0.42) ATMITGB3ITGA2BPLAUCTSL
SCHEMBL15697200 0.90 ITGB3 (0.42) ATMITGB3ITGA2BPLAUCTSL
SCHEMBL15674962 0.87 CNR2 (0.41) CYP3A4ALDH1A1TP53CNR2
SCHEMBL18500322 0.81 ATM (0.61) ATMCA1CA2ACHEPLAU
SCHEMBL15699387 0.81 ATM (0.61) ATMCA1CA2ACHEPLAU
SCHEMBL15674794 0.81 GAA (0.43) ATMCA1CA2ACHECTSL

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-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 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-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS ATM 3196/4885CA1 2001/4885CA2 1682/4885

“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.