SCHEMBL18545508

SCHEMBL18545508

COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccccc3F)C2=O)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.59
▸ ALDH1A1 P00352 11/20 0.55
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ MAPT P10636 6/20 0.55
▸ HTT P42858 4/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ RAB9A P51151 6/20 0.54
▸ S1PR4 O95977 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ S1PR5 Q9H228 1/20 0.54
▸ TP53 P04637 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ POLB P06746 2/20 0.48
▸ TCF4 P15884 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46

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
SCHEMBL12009015 1.00 MYC (0.59) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13446960 0.90 MYC (0.62) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009080 0.89 MYC (0.63) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18545527 0.83 ALDH1A1 (0.59) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009070 0.83 ALDH1A1 (0.59) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009085 0.81 TCF4 (0.67) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009729 0.79 S1PR4 (0.60) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009094 0.79 MYC (0.77) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18545498 0.79 MYC (0.77) MYCALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12009028 0.78 S1PR4 (0.58) MYCALDH1A1SMN1; SMN2KDM4EMAPT

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 MYC 93/4885ALDH1A1 413/4885SMN1; SMN2 3198/4885

“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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