SCHEMBL4802135

SCHEMBL4802135

O=S(=O)(NF)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.55
GAA P10253 2/20 0.55
MMP12 P39900 2/20 0.55
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
UQCRB P14927 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 8/20 0.51
ADAMTS4 O75173 2/20 0.51
CA14 Q9ULX7 1/20 0.51
MMP9 P14780 5/20 0.50
MMP13 P45452 4/20 0.50
MMP3 P08254 3/20 0.50

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
SCHEMBL56650 0.86 CA1 (0.58) MMP1CA1CA2CA12CA9
Hydrochloric Acid SCHEMBL21326160 0.84 CA1 (0.56) MMP1CA1CA2MEN1KMT2A
SCHEMBL13485822 0.80 MMP2 (0.78) MMP1GAAMMP12CA1CA2
SCHEMBL3906959 0.78 NR3C2 (0.61) MMP1GAAMMP12CA1CA2
SCHEMBL10780756 0.78 MMP1 (0.55) MMP1GAAMMP12CA1CA2
SCHEMBL417467 0.78 CA1 (0.59) MMP1GAAMMP12CA1CA2
Benzene SCHEMBL29215798 0.78 KMT2A (0.60) MMP1CA1CA2CA12CA9
SCHEMBL1068742 0.78 MMP1 (0.50) MMP1GAAMMP12CA1CA2
SCHEMBL5857917 0.77 MMP2 (0.54) MMP1GAAMMP12CA1CA2
Benzenesulfonamide SCHEMBL29068266 0.77 CA1 (0.67) MMP1CA1CA2CA12CA9

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 2 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

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 MMP1 3333/4885GAA 1116/4885MMP12 3659/4885

“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.