SCHEMBL16683598

SCHEMBL16683598

O=C(O)CNBc1ccc(Cl)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ PTGDR2 Q9Y5Y4 3/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CXCL8 P10145 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ KMO O15229 2/20 0.33
▸ SHMT1 P34896 1/20 0.33
▸ SHMT2 P34897 1/20 0.33

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
SCHEMBL16683593 0.80 CYP1A2 (0.37) MAPTPOLBCYP2C9ALDH1A1
SCHEMBL16683590 0.74 LMNA (0.45) MAPTPOLB
SCHEMBL20459459 0.71 MAPT (0.46) MAPTTDP1TSHRCYP2C9ALDH1A1
SCHEMBL15933225 0.70 MAPT (0.41) MAPTTDP1TSHRCYP2C9ALDH1A1
SCHEMBL22942635 0.70 MAPT (0.41) MAPTTDP1CYP2C9AKR1C3
SCHEMBL4608622 0.68 MAPT (0.56) MAPTPTGDR2PTGDRTDP1CXCL8
SCHEMBL16683595 0.67 EGFR (0.43) MAPTPOLBALDH1A1
SCHEMBL121636 0.67 MAPT (1.00) MAPTPTGDR2PTGDRTDP1TSHR
SCHEMBL8482266 0.66 SMN1; SMN2 (0.59) MAPTTSHRALDH1A1
SCHEMBL1372961 0.66 MAPT (0.97) MAPTPTGDR2PTGDRTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566289-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-02-14 — — US disclosed
US-9549938-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-01-24 — — US disclosed
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-08-11 — — US disclosed
US-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-07-21 — — US disclosed
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-30 — — US disclosed
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2016-06-02 — — US disclosed
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-04-30 — — 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 (5 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-20160206638-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 MAPT 1768/4885PTGDR2 4772/4885PTGDR 4811/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 MAPT 1768/4885PTGDR2 4772/4885PTGDR 4811/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 MAPT 1768/4885PTGDR2 4772/4885PTGDR 4811/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 MAPT 1768/4885PTGDR2 4772/4885PTGDR 4811/4885
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 MAPT 1768/4885PTGDR2 4772/4885PTGDR 4811/4885

“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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