SCHEMBL3595004

SCHEMBL3595004

COc1c(C)c(C)c(NC(=O)OC(C)(C)C)c(C)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.37
LCK P06239 6/20 0.35
PTPN1 P18031 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL3607869 0.80 PTPN1 (0.38) PTPN1ALDH1A1CA1CA2CA12
SCHEMBL5213793 0.75 ATR (0.40) ATRLCKNPC1RAB9AGAA
SCHEMBL30434717 0.74 AAK1 (0.40) LCKPTPN1ALDH1A1GAAMEN1
SCHEMBL145071 0.74 AAK1 (0.40) LCKPTPN1ALDH1A1GAAMEN1
SCHEMBL5214170 0.74 ATR (0.35) ATRLCKNPC1RAB9AGAA
SCHEMBL3043792 0.74 ATR (0.39) ATRLCKCA1CA2CA12
SCHEMBL3606323 0.73 ALDH1A1 (0.42) ATRLCKALDH1A1GAACA1
SCHEMBL5215289 0.73 ATR (0.37) ATRSMN1; SMN2GAACA2CA12
SCHEMBL5216766 0.72 ATR (0.38) ATRLCKGAACA1CA2
SCHEMBL5217633 0.72 MEN1 (0.35) ATRLCKNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 EP 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 (8 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ATR 1163/4885LCK 4096/4885PTPN1 4169/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 ATR 436/4885LCK 4576/4885PTPN1 4675/4885
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 ATR 2782/4885LCK 2752/4885PTPN1 2026/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ATR 2782/4885LCK 2752/4885PTPN1 2026/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ATR 2782/4885LCK 2752/4885PTPN1 2026/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ATR 2277/4885LCK 4359/4885PTPN1 4297/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 ATR 725/4885LCK 4746/4885PTPN1 4706/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ATR 2782/4885LCK 2752/4885PTPN1 2026/4885

“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.