SCHEMBL3257780

SCHEMBL3257780

COc1c(NC(=O)c2cc3c(Cl)ccc(NC(=O)c4cccnc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 2/20 0.56
▸ MAPK9 P45984 2/20 0.56
▸ MAPK14 Q16539 7/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GSK3A P49840 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL13359163 0.87 ALDH1A1 (0.42) LYNMAPK9MAPK14SMN1; SMN2ALDH1A1
SCHEMBL3257628 0.87 LYN (0.72) LYNMAPK9MAPK14SMN1; SMN2ALDH1A1
SCHEMBL13798001 0.85 MAPK14 (0.60) LYNMAPK9MAPK14BRAFGSK3A
SCHEMBL3254683 0.85 MAPK14 (0.63) LYNMAPK9MAPK14SMN1; SMN2KMT2A
SCHEMBL13797998 0.83 MAPK14 (0.61) LYNMAPK9MAPK14BRAF
SCHEMBL13359224 0.82 MAPK14 (0.62) LYNMAPK9MAPK14BRAFABL1
SCHEMBL13811033 0.81 MAPK14 (0.58) LYNMAPK9MAPK14BRAFSRC
SCHEMBL13797948 0.79 MAPK14 (0.56) LYNMAPK9MAPK14MEN1HTT
SCHEMBL13797958 0.79 LYN (0.72) LYNMAPK9MAPK14BRAF
SCHEMBL13797930 0.78 MAPK14 (0.73) LYNMAPK9MAPK14BRAF

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
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 — — 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-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B LYN 2917/4885MAPK9 1942/4885MAPK14 2121/4885

“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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