SCHEMBL18539153

SCHEMBL18539153

COC(=O)c1ccc(/C=C2/SC(=O)N(CCC(=O)N3CSCC3C(=O)O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12008551 0.91 CACNA1B (0.54) ALDH1A1KMT2AMEN1CTDSP1TDP1
SCHEMBL13446895 0.81 MAPT (0.59) ALDH1A1NPSR1KMT2AMEN1ENPP2
SCHEMBL13446865 0.79 TDP1 (0.42) ALDH1A1KMT2AENPP2CTDSP1TDP1
SCHEMBL12008474 0.78 KMT2A (0.56) ALDH1A1KMT2ACTDSP1RAB9ACACNA1B
SCHEMBL12008429 0.72 ALDH1A1 (0.54) NPC1ALDH1A1KMT2AMEN1CTDSP1
SCHEMBL12008799 0.71 MAPT (0.76) NPC1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2172644 0.69 PIM1 (0.53) KMT2AMEN1ENPP2TDP1CACNA1B
SCHEMBL2172647 0.69 PIM1 (0.53) KMT2AMEN1ENPP2TDP1CACNA1B
SCHEMBL20534423 0.68 MAPT (0.79) NPC1ALDH1A1KMT2ARAB9AMAPT
SCHEMBL20534421 0.68 MAPT (0.79) NPC1ALDH1A1KMT2ARAB9AMAPT

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
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — US disclosed
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 NPC1 1604/4885ALDH1A1 413/4885KDM4E 3915/4885

“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.

Send feedback