SCHEMBL660001

SCHEMBL660001

Cc1c(C)c(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c(C)c2c1OC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
GPR119 Q8TDV5 7/20 0.37
SLC6A9 P48067 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR1 P32246 1/20 0.34
MLYCD O95822 1/20 0.34
OGA O60502 1/20 0.34
NAMPT P43490 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL661032 0.85 AKR1C3 (0.40) AKR1C3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL659624 0.83 LMNA (0.40) AKR1C3MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL657676 0.83 MEN1 (0.41) AKR1C3MEN1KMT2ADRD2ALDH1A1
SCHEMBL657986 0.82 MAPT (0.46) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL659366 0.82 ALDH1A1 (0.32) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2
SCHEMBL658656 0.82 LMNA (0.34) GPR119KMT2AHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1723899 0.81 LMNA (0.33) AKR1C3MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL10240199 0.81 MAPT (0.37) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL658597 0.81 DRD2 (0.46) AKR1C3MEN1KMT2ADRD2ALDH1A1
SCHEMBL659127 0.81 MAPT (0.39) MEN1KMT2AHSP90AA1HSP90AB1DRD2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US 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-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-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232095-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
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 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
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US 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 AKR1C3 604/4885GPR119 1817/4885SLC6A9 3723/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 AKR1C3 604/4885GPR119 1817/4885SLC6A9 3723/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 AKR1C3 604/4885GPR119 1817/4885SLC6A9 3723/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 AKR1C3 379/4885GPR119 2063/4885SLC6A9 3993/4885

“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.