SCHEMBL18539173

SCHEMBL18539173

O=C(CCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCCC1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.86
▸ FFAR1 O14842 2/20 0.71
▸ MEN1 O00255 4/20 0.59
▸ GPR55 Q9Y2T6 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ PKM P14618 1/20 0.56

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
SCHEMBL12008990 0.96 KMT2A (0.86) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL12008977 0.93 KMT2A (1.00) KMT2AFFAR1MEN1NPC1MAPT
SCHEMBL12008890 0.93 KMT2A (1.00) KMT2AFFAR1MEN1NPC1MAPT
SCHEMBL12008872 0.92 KMT2A (0.98) KMT2AFFAR1MEN1NPC1MAPT
SCHEMBL12009002 0.89 KMT2A (0.74) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL12008972 0.87 PKM (0.73) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL13745374 0.85 KMT2A (0.82) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL12008991 0.85 KMT2A (0.69) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL12008898 0.85 FFAR1 (0.68) KMT2AFFAR1MEN1GPR55NPC1
SCHEMBL12008887 0.85 KMT2A (0.84) KMT2AFFAR1MEN1MAPTALDH1A1

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 KMT2A 4591/4885FFAR1 2541/4885MEN1 4655/4885

“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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