SCHEMBL659449

SCHEMBL659449

COCOc1c(C)cc(C)c2c1OC(C)(C)C2=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31

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
Bicarbonate SCHEMBL1721033 0.92 PTPN1 (0.33) PTPN1
Bicarbonate SCHEMBL1721030 0.92 PTPN1 (0.33) PTPN1
SCHEMBL660622 0.83 AKR1B1 (0.34)
SCHEMBL659455 0.76
SCHEMBL659098 0.73 KDM4E (0.31)
SCHEMBL658369 0.70 KDM4E (0.36)
SCHEMBL657722 0.70
SCHEMBL3600806 0.66 NQO1 (0.33)
SCHEMBL26081261 0.63 KMT2A (0.40) PTPN1
SCHEMBL29311940 0.62 PTPN1 (0.40) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 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 (4 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 PTPN1 3602/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 PTPN1 3602/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 PTPN1 3602/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 PTPN1 4030/4885

“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.