SCHEMBL15933211

SCHEMBL15933211

OBc1cccc(F)c1CO

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALB P02768 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL113326 0.79 TAAR1 (0.48) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL8299084 0.72 — —
SCHEMBL15702943 0.72 GCGR (0.30) —
SCHEMBL620083 0.71 TAAR1 (0.42) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL3061211 0.71 TAAR1 (0.42) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL31620229 0.71 TAAR1 (0.42) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL2087457 0.70 ACHE (0.48) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL1265966 0.70 TAAR1 (0.41) TAAR1GAAGABRA1GABRG2GABRB3
SCHEMBL697704 0.70 TAAR1 (0.67) TAAR1GAABACE1KDM4ESMN1; SMN2
SCHEMBL13760596 0.70 TAAR1 (0.41) TAAR1GAAGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9353133-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-05-31 — — US disclosed
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. 2015-04-30 — — US disclosed
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 — — 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 (6 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 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885
US-20160151399-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885
US-20160228463-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885
US-20160184334-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885
US-20150119364-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 TAAR1 3432/4885GAA 1252/4885GABRA1 1910/4885

“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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