SCHEMBL16273790

SCHEMBL16273790

CCCN(CCC)/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.77
▸ ABCB11 O95342 4/20 0.77
▸ ABCC4 O15439 3/20 0.77
▸ ABCC2 Q92887 3/20 0.77
▸ GAA P10253 3/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ CHRM1 P11229 3/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ KDM4E B2RXH2 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77
▸ ABCC3 O15438 2/20 0.77
▸ SLCO2B1 O94956 2/20 0.77
▸ TBXA2R P21731 2/20 0.77
▸ ADRA1A P35348 2/20 0.77
▸ SLCO1A2 P46721 2/20 0.77
▸ SLCO1B3 Q9NPD5 2/20 0.77
▸ SLCO1B1 Q9Y6L6 2/20 0.77
▸ NR1I2 O75469 2/20 0.77

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
SCHEMBL30988931 0.93 MAPT (0.81) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29625757 0.91 MAPT (0.80) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL23594215 0.91 ABCB11 (0.83) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL23541658 0.91 ABCB11 (0.83) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL23510705 0.91 MAPT (0.83) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL23541652 0.91 MAPT (0.83) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29559659 0.91 ABCB11 (0.83) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL30478465 0.91 ABCB11 (0.76) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29477244 0.90 ABCB11 (0.77) MAPTABCB11ABCC4ABCC2GAA
SCHEMBL29477247 0.90 ABCB11 (0.77) MAPTABCB11ABCC4ABCC2GAA

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-9803002-B2 Anti-wall teichoic antibodies and conjugates Genentench, Inc. (US) 2017-10-31 — — US disclosed
US-20140356376-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES GENENTECH, INC. (US) 2014-12-04 — — 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-20140356376-A1 ANTI-WALL TEICHOIC ANTIBODIES AND CONJUGATES STT3A, STT3B, DDOST MAPT 2090/4885ABCB11 540/4885ABCC4 1729/4885

“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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