SCHEMBL12871576

SCHEMBL12871576

COCCC(NC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL20850030 1.00 CA1 (0.32) CA1CA2MEN1NPC1ALDH1A1
SCHEMBL15417405 0.89 CA1 (0.33) CA1CA2MEN1NPC1ALDH1A1
SCHEMBL12252736 0.85 CA12 (0.31) CA1CA2
SCHEMBL17630152 0.83 TGFBR1 (0.35) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL27400923 0.80 TSHR (0.41) CA1CA2MEN1ALDH1A1KMT2A
SCHEMBL8907753 0.80 CTSK (0.31) MEN1NPC1ALDH1A1CYP1A2RAB9A
SCHEMBL24024096 0.79 — —
SCHEMBL7802720 0.79 HDAC7 (0.34) CA1CA2ZDHHC7
SCHEMBL23813407 0.79 — —
SCHEMBL12250669 0.79 HDAC7 (0.34) CA1CA2ZDHHC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493580-B2 Multivalent glycopeptide constructs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-11-15 — — US disclosed
US-9464116-B2 Glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-10-11 — — US disclosed
US-20140271817-A1 NOVEL GLYCOCONJUGATES, GLYCOAMINO ACIDS, INTERMEDIATES THERETO, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-09-18 — — US disclosed
US-20130095173-A1 MULTIVALENT GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-04-18 — — US disclosed
US-7879335-B1 Glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-02-01 — — 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-20130095173-A1 MULTIVALENT GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF B3GAT3, GOLGA2, FUT5 CA1 787/4885CA2 2639/4885MEN1 1666/4885
US-20140271817-A1 NOVEL GLYCOCONJUGATES, GLYCOAMINO ACIDS, INTERMEDIATES THERETO, AND USES THEREOF SIGLEC7, B3GAT3, FUT6 CA1 451/4885CA2 1879/4885MEN1 2246/4885

“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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