SCHEMBL1015878

SCHEMBL1015878

COC(=O)c1ccccc1S(=O)(=O)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA5A P35218 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 6/20 0.51
HSD17B10 Q99714 4/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.49
GAA P10253 2/20 0.49
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4599910 0.97 CA1 (0.58) CA1CA2CA5ACA9ALDH1A1
SCHEMBL8482221 0.87 CA1 (0.54) CA1CA2CA5ACA9ALDH1A1
SCHEMBL1760958 0.83 CA1 (0.49) CA1CA2CA5ACA9ALDH1A1
SCHEMBL19617496 0.81 TSHR (0.51) CA1CA2CA5ACA9ALDH1A1
SCHEMBL25302808 0.80 TP53 (0.46) CA1CA2CA5ACA9ALDH1A1
SCHEMBL19617768 0.80 TSHR (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4357519 0.78 CA1 (0.54) CA1CA2CA5ACA9ALDH1A1
SCHEMBL25304013 0.78 TP53 (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4599595 0.78 TSHR (0.51) CA1CA2CA9ALDH1A1TSHR
SCHEMBL11661242 0.77 CA1 (0.73) CA1CA2CA5ACA9ALDH1A1

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-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-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 CA1 4684/4885CA2 2164/4885CA5A 1512/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 CA1 4684/4885CA2 2164/4885CA5A 1512/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 CA1 4687/4885CA2 2056/4885CA5A 1388/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 CA1 4684/4885CA2 2164/4885CA5A 1512/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 CA1 4684/4885CA2 2164/4885CA5A 1512/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 CA1 4684/4885CA2 2164/4885CA5A 1512/4885

“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.