SCHEMBL4990043

SCHEMBL4990043

O=S(=O)(Cc1ccccc1)OCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 5/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
CA12 O43570 2/20 0.42
CA7 P43166 1/20 0.42
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL10916650 0.81 KMT2A (0.52) KMT2ACA1CA2CA9PRSS1
SCHEMBL4753848 0.79 KMT2A (0.49) KMT2ACA1CA2CA9PRSS1
SCHEMBL10486338 0.79 KMT2A (0.49) KMT2ACA1CA2CA9PRSS1
SCHEMBL6114729 0.78 KMT2A (0.61) KMT2ACA1CA2CA9PRSS1
SCHEMBL9309031 0.78 KMT2A (0.61) KMT2ACA1CA2CA9PRSS1
SCHEMBL5147553 0.77 KMT2A (0.47) KMT2ACA1CA2CA9PRSS1
SCHEMBL2439083 0.76 CA2 (0.61) KMT2ACA1CA2CA9PRSS1
SCHEMBL4313869 0.76 ALPI (0.51) KMT2ACA1CA2CA9PRSS1
SCHEMBL6903089 0.76 KMT2A (0.46) KMT2ACA1CA2CA9PRSS1
SCHEMBL21067451 0.76 ALPI (0.51) KMT2ACA1CA2CA9PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 KMT2A 2978/4885CA1 3413/4885CA2 3182/4885

“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.