SCHEMBL21045977

SCHEMBL21045977

Cc1ccc(S(=O)(=O)n2ccc3c2C(=O)C(C)N=C3Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH3A1 P30838 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.37
ACHE P22303 1/20 0.36
MMP2 P08253 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SLC9A1 P19634 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL15230723 0.66 CA1 (0.41) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL15230721 0.66 CA1 (0.41) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL10854578 0.66 MMP2 (0.42) CA1CA2L3MBTL1POLBHTT
SCHEMBL18951957 0.66 CA1 (0.53) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL25301888 0.64 RAPGEF4 (0.54) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL30081932 0.63 L3MBTL1 (0.59) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL1354366 0.63 L3MBTL1 (0.59) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL1365792 0.63 RAPGEF4 (0.61) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL33525683 0.62 L3MBTL1 (0.40) CA1CA2L3MBTL1ALDH3A1POLB
SCHEMBL30977560 0.62 L3MBTL1 (0.45) CA1CA2L3MBTL1ALDH3A1POLB

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-20190169186-A1 CRYSTALLINE SOLID FORMS OF A BET INHIBITOR INCYTE CORPORATION 2019-06-06 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-20190169186-A1 CRYSTALLINE SOLID FORMS OF A BET INHIBITOR BRD1, BRD3, BRD2 CA1 3670/4885CA2 4071/4885L3MBTL1 708/4885

“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.