SCHEMBL12297323

SCHEMBL12297323

COc1ccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.72
▸ PTGS2 P35354 4/20 0.70
▸ MEN1 O00255 7/20 0.68
▸ MAPT P10636 7/20 0.68
▸ KMT2A Q03164 7/20 0.68
▸ GAA P10253 4/20 0.68
▸ RAB9A P51151 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ CYP1B1 Q16678 2/20 0.65
▸ CYP1A1 P04798 1/20 0.65
▸ NFKB1 P19838 3/20 0.65
▸ NFKB2 Q00653 3/20 0.65
▸ RELA Q04206 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ MCL1 Q07820 1/20 0.65
▸ VCP P55072 2/20 0.62
▸ RECQL P46063 1/20 0.62
▸ MAPK1 P28482 1/20 0.61
▸ LMNA P02545 1/20 0.59

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
SCHEMBL23554023 0.90 VCP (0.73) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL12297449 0.87 CYP1A2 (0.67) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL12297447 0.87 ALOX5 (0.67) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL12297842 0.84 CSNK2A1 (0.62) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL26123505 0.84 ALOX5 (0.77) ALOX5MEN1MAPTKMT2AGAA
SCHEMBL12297924 0.83 ALOX5 (0.72) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL12297852 0.83 PTGS2 (1.00) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL7537503 0.83 PTGS2 (1.00) ALOX5PTGS2MEN1MAPTKMT2A
SCHEMBL12297322 0.80 ALOX5 (0.67) ALOX5MEN1MAPTKMT2AGAA
SCHEMBL12297371 0.80 PTGS2 (0.82) ALOX5PTGS2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — 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 (2 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 ALOX5 1213/4885PTGS2 2353/4885MEN1 2959/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 ALOX5 1213/4885PTGS2 2353/4885MEN1 2959/4885

“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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