SCHEMBL18545494

SCHEMBL18545494

O=C(O)c1cc(O)ccc1NC(O)CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ POLB P06746 9/20 0.53
▸ USP2 O75604 1/20 0.53
▸ NSD2 O96028 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ ALPL P05186 1/20 0.51
▸ DUSP26 Q9BV47 1/20 0.49
▸ GFER P55789 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TNNI3 P19429 1/20 0.45
▸ TNNT2 P45379 1/20 0.45
▸ TNNC1 P63316 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ PTPN12 Q05209 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ PTPN22 Q9Y2R2 1/20 0.44

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
SCHEMBL12008465 0.86 POLB (0.71) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008495 0.84 MEN1 (0.74) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008581 0.75 KMT2A (0.80) MEN1KMT2APOLBGFERMAPT
SCHEMBL12008631 0.75 FFAR1 (0.69) MEN1KMT2APOLBMAPTCACNA1B
SCHEMBL12008724 0.74 POLB (0.77) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008434 0.72 CISD1 (0.72) MEN1KMT2APOLBMAPTCACNA1B
SCHEMBL12008714 0.72 KMT2A (0.76) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008719 0.72 KMT2A (0.70) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008584 0.72 MEN1 (0.87) MEN1KMT2APOLBUSP2NSD2
SCHEMBL12008586 0.72 MEN1 (1.00) MEN1KMT2APOLBUSP2NSD2

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 MEN1 4655/4885KMT2A 4591/4885POLB 2088/4885

“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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