SCHEMBL5539702

SCHEMBL5539702

C=NN(C(=O)CNc1cccc(S(N)(=O)=O)c1)c1c(Cl)cncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 8/20 0.59
GRK3 P35626 4/20 0.59
GRK5 P34947 3/20 0.59
CA1 P00915 9/20 0.54
CA2 P00918 9/20 0.54
CA12 O43570 7/20 0.54
CA9 Q16790 7/20 0.54
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 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
SCHEMBL5533048 0.82 CA1 (0.57) GRK2GRK3GRK5CA1CA2
SCHEMBL5539419 0.81 GRK2 (0.57) GRK2GRK3GRK5
SCHEMBL5533102 0.80 GRK2 (0.58) GRK2GRK3GRK5
SCHEMBL5537921 0.76 GRK2 (0.39) GRK2GRK3GRK5MAPT
SCHEMBL14496316 0.74 GRK2 (1.00) GRK2GRK3GRK5
SCHEMBL5537585 0.71 GRK2 (0.65) GRK2
SCHEMBL5329635 0.65 GRK2 (0.55) GRK2GRK3GRK5MEN1KMT2A
SCHEMBL14496318 0.64 GRK2 (1.00) GRK2GRK3GRK5
SCHEMBL5280960 0.64 GRK2 (0.53) GRK2GRK3GRK5CA1CA2
SCHEMBL14496370 0.63 GRK2 (1.00) GRK2GRK3GRK5MEN1KMT2A

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-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK2 2/4885GRK3 4/4885GRK5 5/4885

“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.