SCHEMBL2128761

SCHEMBL2128761

Cc1ccc(S(=O)(=O)n2ccc3c(Br)cnc(Cl)c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.45
▸ BCR P11274 2/20 0.45
▸ BRD4 O60885 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ POLB P06746 1/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ UBE2N P61088 1/20 0.35

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
SCHEMBL19662371 0.87 L3MBTL1 (0.45) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL31279422 0.87 HTR6 (0.42) ABL1BCRHTTHTR6ALDH1A1
SCHEMBL14321207 0.87 HTR6 (0.42) ABL1BCRHTTHTR6ALDH1A1
SCHEMBL16739069 0.85 L3MBTL1 (0.43) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL15069582 0.82 L3MBTL1 (0.41) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL16336240 0.81 MAPT (0.41) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL19278216 0.81 ABL1 (0.36) ABL1BCRL3MBTL1HTTHTR6
SCHEMBL20535940 0.80 L3MBTL1 (0.49) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL26912926 0.78 CA1 (0.42) ABL1BCRBRD4L3MBTL1CA1
SCHEMBL20489067 0.77 CA1 (0.44) L3MBTL1CA1CA2POLBALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014125408-A2 SUBSTITUTED 1H-PYRROLOPYRIDINONE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 — — WO disclosed
US-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 — — 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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 ABL1 3481/4885BCR 3597/4885BRD4 2315/4885

“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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