SCHEMBL1014583

SCHEMBL1014583

O=S(=O)(c1ccccc1CO)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.44
CTSB P07858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA3 P07451 4/20 0.39
CA6 P23280 4/20 0.39
CA5A P35218 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA13 Q8N1Q1 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
CA4 P22748 3/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX1 P07099 1/20 0.39
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL1016972 0.83 CTSB (0.42) COMTCTSBPTGDR2CA12CA1
SCHEMBL8254111 0.83 LOXL2 (0.46) COMTCTSBPTGDR2CA12CA1
SCHEMBL9988286 0.83 CTSB (0.42) COMTCTSBPTGDR2CA12CA1
Hydrochloric Acid SCHEMBL4599222 0.81 LOXL2 (0.45) COMTCTSBPTGDR2CA12CA1
SCHEMBL9988003 0.81 PTGDR2 (0.43) COMTCTSBPTGDR2CA12CA1
SCHEMBL8230938 0.79 LOXL2 (0.43) COMTCTSBPTGDR2CA12CA1
SCHEMBL2651371 0.79 MMP2 (0.50) CTSBPTGDR2CA12CA1CA2
Hydrochloric Acid SCHEMBL4611724 0.78 LOXL2 (0.42) COMTCTSBPTGDR2CA12CA1
SCHEMBL15676829 0.77 CTSB (0.64) CTSBPTGDR2LOXL2ALOX5APFEN1
SCHEMBL8254703 0.76 CTSB (0.43) COMTCTSBPTGDR2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-8481569-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-09 US disclosed
US-7985862-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7982044-B2 Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-19 US disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO 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-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 COMT 171/4885CTSB 4734/4885PTGDR2 119/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 COMT 171/4885CTSB 4734/4885PTGDR2 119/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 COMT 191/4885CTSB 4663/4885PTGDR2 131/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 COMT 171/4885CTSB 4734/4885PTGDR2 119/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 COMT 171/4885CTSB 4734/4885PTGDR2 119/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 COMT 171/4885CTSB 4734/4885PTGDR2 119/4885

“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.