SCHEMBL18545461

SCHEMBL18545461

O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(O)O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.69
▸ MEN1 O00255 10/20 0.69
▸ CTDSP1 Q9GZU7 5/20 0.69
▸ BLM P54132 3/20 0.67
▸ NPC1 O15118 1/20 0.58
▸ GPR35 Q9HC97 2/20 0.58
▸ PTPN12 Q05209 1/20 0.58
▸ PTPN22 Q9Y2R2 1/20 0.58
▸ DDX3X O00571 2/20 0.57
▸ TDP1 Q9NUW8 5/20 0.57
▸ POLB P06746 4/20 0.57
▸ MAPT P10636 3/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ SAE1 Q9UBE0 2/20 0.55
▸ UBA2 Q9UBT2 2/20 0.55
▸ PSMD14 O00487 1/20 0.55
▸ CACNA1B Q00975 1/20 0.55
▸ APBA1 Q02410 1/20 0.55

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
SCHEMBL12008606 0.87 PTPN12 (0.76) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL18545509 0.86 KMT2A (0.78) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL12008607 0.85 KMT2A (0.75) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL17319563 0.82 KMT2A (0.83) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL17319553 0.82 KMT2A (1.00) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL12008605 0.82 KMT2A (1.00) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL12008604 0.80 KMT2A (1.00) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL17319549 0.80 KMT2A (1.00) KMT2AMEN1CTDSP1BLMNPC1
SCHEMBL12008726 0.78 PTPN12 (0.90) KMT2AMEN1NPC1GPR35PTPN12
SCHEMBL12008563 0.78 GPR35 (0.76) KMT2AMEN1CTDSP1BLMNPC1

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 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885

“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