SCHEMBL18545476

SCHEMBL18545476

O=Cc1ccc(/C=C2\SC(=S)N(CCC(O)O)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.55
▸ MAOA P21397 2/20 0.55
▸ PTPN12 Q05209 1/20 0.54
▸ PTPN22 Q9Y2R2 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ MAOB P27338 1/20 0.53
▸ FFAR1 O14842 1/20 0.53
▸ MYC P01106 1/20 0.53
▸ MAX P61244 1/20 0.53
▸ MAPT P10636 6/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NCOA3 Q9Y6Q9 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ AKR1B1 P15121 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MITF O75030 2/20 0.50
▸ MMP3 P08254 1/20 0.50
▸ PTPN1 P18031 1/20 0.50

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
SCHEMBL12008711 0.82 CISD1 (0.81) CISD1MAOAALDH1A1FFAR1MYC
SCHEMBL15330387 0.82 PTPN12 (0.79) PTPN12PTPN22KMT2AAKR1B1MEN1
SCHEMBL15330386 0.82 PTPN12 (0.79) PTPN12PTPN22KMT2AAKR1B1MEN1
SCHEMBL12008715 0.80 FFAR1 (0.80) CISD1MAOAALDH1A1FFAR1MAPT
SCHEMBL1124983 0.77 MYC (0.74) CISD1MAOAPTPN12PTPN22ALDH1A1
SCHEMBL1124985 0.77 MYC (0.74) CISD1MAOAPTPN12PTPN22ALDH1A1
SCHEMBL1125306 0.75 CISD1 (0.75) CISD1MAOAMAOBMAPTKMT2A
SCHEMBL1125307 0.75 CISD1 (0.75) CISD1MAOAMAOBMAPTKMT2A
SCHEMBL18420883 0.72 CISD1 (0.81) CISD1MAOAALDH1A1FFAR1MAPT
SCHEMBL12008493 0.72 CISD1 (0.81) CISD1MAOAALDH1A1FFAR1MAPT

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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — 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-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CISD1 2618/4885MAOA 3935/4885PTPN12 457/4885

“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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