SCHEMBL1017485

SCHEMBL1017485

COC(=O)c1cc(Cl)ccc1S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
NR4A2 P43354 2/20 0.48
CDK1 P06493 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
VCAM1 P19320 1/20 0.46
CCR2 P41597 2/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
ACLY P53396 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
ADRA1D P25100 1/20 0.42

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
SCHEMBL17078006 0.87 TRPV4 (0.56) ABL1NR4A2CDK1SLC6A4SLC6A3
SCHEMBL22827732 0.85 CA2 (0.61) ABL1NR4A2CDK1SLC6A4SLC6A3
SCHEMBL22827917 0.84 ABL1 (0.51) ABL1NR4A2CDK1SLC6A4SLC6A3
SCHEMBL19437639 0.84 ABL1 (0.51) ABL1NR4A2CDK1SLC6A4SLC6A3
SCHEMBL21027865 0.81 VCAM1 (0.61) CDK1VCAM1CA2MEN1KMT2A
SCHEMBL8489072 0.81 ALDH1A1 (0.55) CCR2ACLYCA2CA1ADRA1D
SCHEMBL21384541 0.80 ABL1 (0.48) ABL1NR4A2CDK1SLC6A4SLC6A3
SCHEMBL424814 0.80 L3MBTL1 (0.48) NR4A2CDK1SLC6A3VCAM1CA2
SCHEMBL1110811 0.80 CDK1 (0.48) CDK1SLC6A4SLC6A3VCAM1CCR2
SCHEMBL30546511 0.80 L3MBTL1 (0.48) NR4A2CDK1SLC6A3VCAM1CA2

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-7985863-B2 Iminopyridine derivatives and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-26 US disclosed
US-7985862-B2 Iminopyridine derivatives and use 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-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE 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-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 ABL1 776/4885NR4A2 473/4885CDK1 2708/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ABL1 776/4885NR4A2 473/4885CDK1 2708/4885
US-20110124875-A1 IMINOPYRIDINE DERIVATIVES AND USES THEREOF ADRA1D, ADRB1, ADRB2 ABL1 959/4885NR4A2 562/4885CDK1 2957/4885
US-20110124874-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ABL1 776/4885NR4A2 473/4885CDK1 2708/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 ABL1 776/4885NR4A2 473/4885CDK1 2708/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 ABL1 776/4885NR4A2 473/4885CDK1 2708/4885

“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.