SCHEMBL3109600

SCHEMBL3109600

O=S(=O)(CI)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.67
▸ CA2 P00918 3/20 0.50
▸ MMP2 P08253 3/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41

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
SCHEMBL3253487 0.80 PLCG1 (1.00) PLCG1CA2MMP2CA12CA9
SCHEMBL9704914 0.78 PLCG1 (0.70) PLCG1CA2MMP2CA12CA9
SCHEMBL5375 0.78 PLCG1 (0.70) PLCG1CA2MMP2CA12CA9
SCHEMBL13926097 0.77 PLCG1 (0.55) PLCG1CA2KMT2ACYP3A4CYP2C9
SCHEMBL8488156 0.76 PLCG1 (0.67) PLCG1CA2MMP2CA12CA9
SCHEMBL11376482 0.76 GAA (0.61) CA2MMP2CA12CA9CA1
SCHEMBL14393403 0.76 ENPP2 (0.50) PLCG1CYP3A4CYP2C9CYP2C19
SCHEMBL165340 0.76 PLCG1 (0.67) PLCG1CA2MMP2CA12CA9
SCHEMBL13825881 0.76 PLCG1 (0.67) PLCG1CA2MMP2CA12CA9
SCHEMBL3628081 0.76 ALDH1A1 (0.61) CA2MMP2CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 — — US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 — — US disclosed
EP-2089365-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-08-19 — — EP disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 — — US disclosed
WO-2008045668-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 — — 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 PLCG1 4278/4885CA2 615/4885MMP2 16/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 PLCG1 4278/4885CA2 615/4885MMP2 16/4885

“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.

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