SCHEMBL3087323

SCHEMBL3087323

COc1cc(Cl)cc(COS(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
MARS1 P56192 2/20 0.39
ACLY P53396 2/20 0.37
APLNR P35414 1/20 0.37
IDO1 P14902 2/20 0.36
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ENPP2 Q13822 1/20 0.35
AHR P35869 1/20 0.34
DDR1 Q08345 1/20 0.34
NAMPT P43490 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
SCHEMBL4529293 0.88 ALDH1A1 (0.44) APLNRKMT2A
SCHEMBL4426073 0.86 IDO1 (0.48) FFAR4IDO1
SCHEMBL3161285 0.81 FFAR4 (0.45) FFAR4IDO1CNR1ENPP2DDR1
SCHEMBL3305248 0.80 APLNR (0.37) APLNRIDO1
SCHEMBL7465368 0.76 CYP19A1 (0.41) MEN1KMT2A
SCHEMBL4209463 0.76 TAS2R14 (0.45) TP53MEN1KMT2A
SCHEMBL4402201 0.75 ALDH1A1 (0.44) TP53MEN1KMT2A
SCHEMBL7019854 0.75 MAPT (0.44) MEN1KMT2A
SCHEMBL5103979 0.75 MEN1 (0.42) FFAR4MARS1ACLYTP53MEN1
SCHEMBL1650853 0.75 MEN1 (0.39) FFAR4MARS1ACLYMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
EP-1954259-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING Hammersmith Imanet, Ltd (GB) 2008-08-13 EP disclosed
WO-2007063286-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING HAMMERSMITH IMANET LIMITED (GB) 2007-06-07 WO disclosed
WO-2007063286-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING HAMMERSMITH IMANET LIMITED (GB) 2007-06-07 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 (1 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-20090155168-A1 IN VIVO IMAGING COMPOUNDS GRIN1, GRIN2B, GRIN3B FFAR4 313/4885MARS1 3094/4885ACLY 4104/4885

“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.