SCHEMBL16156832

SCHEMBL16156832

CO[C@@H]1O[C@H](C[C@H](CCI)N(C)C(=O)OCc2ccccc2)C2OC(C)(C)O[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.37
▸ LGALS8 O00214 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ BCHE P06276 2/20 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
SCHEMBL16156827 0.92 LGALS8 (0.40) ABCB1LGALS8ALDH1A1CTSKCTSL
SCHEMBL16156839 0.87 ABCB1 (0.36) ABCB1LGALS8ALDH1A1CTSKCTSL
SCHEMBL16156791 0.87 LGALS8 (0.33) LGALS8ALDH1A1BCHE
SCHEMBL14905934 0.87 LGALS8 (0.33) LGALS8ALDH1A1BCHE
SCHEMBL16193347 0.80 LGALS8 (0.38) LGALS8ALDH1A1BCHE
SCHEMBL14905964 0.78 LGALS8 (0.35) LGALS8ALDH1A1BCHE
SCHEMBL16193346 0.78 LGALS8 (0.35) LGALS8ALDH1A1BCHE
SCHEMBL14905962 0.78 LTA4H (0.35) LGALS8ALDH1A1CTSBBCHE
SCHEMBL16156885 0.78 LTA4H (0.35) LGALS8ALDH1A1CTSBBCHE
SCHEMBL16193348 0.76 BCHE (0.35) LGALS8ALDH1A1BCHE

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-9493501-B2 Methyltransferase inhibitors for treating cancer MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2016-11-15 — — US disclosed
US-20140303106-A1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER 2014-10-09 — — 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-20140303106-A1 METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER GNMT, AS3MT, TPMT ABCB1 1097/4885LGALS8 3668/4885ALDH1A1 819/4885

“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.

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