SCHEMBL4804640

SCHEMBL4804640

CONS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.51
MMP1 P03956 3/20 0.50
GAA P10253 2/20 0.50
MMP12 P39900 2/20 0.50
MMP2 P08253 4/20 0.49
MMP3 P08254 3/20 0.49
MMP13 P45452 3/20 0.49
MMP7 P09237 2/20 0.49
MMP9 P14780 2/20 0.49
UQCRB P14927 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48

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
SCHEMBL366135 0.88 CA2 (0.52) MMP1MMP2MMP13MMP9MAPK1
SCHEMBL12650481 0.81 MMP1 (0.50) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL29039629 0.80 ADAMTS4 (0.47) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL1784104 0.80 ADAMTS4 (0.55) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL6554634 0.78 GAA (0.59) MMP1GAAMMP2MMP13MMP9
SCHEMBL3906959 0.78 NR3C2 (0.61) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL28937576 0.78 MMP1 (0.47) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL18193644 0.76 ADAMTS4 (0.51) ADAMTS4MMP1GAAMMP12MMP2
SCHEMBL4804011 0.76 CA12 (0.55) MMP1GAAMMP2MMP13MMP9
SCHEMBL6228003 0.76 CA1 (0.55) MMP1MMP2MMP13MMP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 US disclosed
US-7183320-B2 Benzoylsulfonamides and sulfonylbenzamidines for use as antitumour agents ELI LILLY AND COMPANY (US) 2007-02-27 US 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR ADAMTS4 2068/4885MMP1 3333/4885GAA 1116/4885

“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.