SCHEMBL20212362

SCHEMBL20212362

COc1cc(Cl)cnc1N.COc1cc(Cl)cnc1NS(=O)(=O)c1cncc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S100A9 P06702 2/20 0.60
▸ CCR4 P51679 9/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SHMT2 P34897 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.36

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
SCHEMBL16234982 0.93 S100A9 (0.68) S100A9CCR4MEN1KMT2APOLB
SCHEMBL16235973 0.78 S100A9 (0.53) S100A9CCR4KMT2AHTT
SCHEMBL16235038 0.77 S100A9 (0.61) S100A9CCR4HTT
SCHEMBL16235057 0.76 ACLY (0.47) S100A9CCR4POLBAPLNRHTT
SCHEMBL16234996 0.76 S100A9 (1.00) S100A9CCR4KDM1AMAOA
SCHEMBL16235782 0.75 ALDH1A1 (0.53) S100A9CCR4MEN1KMT2APOLB
SCHEMBL16235072 0.74 S100A9 (0.45) S100A9CCR4KMT2AHTT
SCHEMBL16235255 0.73 S100A9 (0.53) S100A9CCR4MEN1KMT2APOLB
SCHEMBL16235121 0.72 ALDH1A1 (0.50) CCR4MEN1KMT2AHTTMAPT
SCHEMBL2220791 0.71 FYN (0.42) MEN1KMT2APOLB

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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — 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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 S100A9 1/4885CCR4 4428/4885MEN1 1176/4885

“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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