SCHEMBL18539164

SCHEMBL18539164

O=C(O)C1CCN(C(=O)CCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ HPGD P15428 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ FFAR1 O14842 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL12008746 0.90 ALDH1A1 (0.62) ALDH1A1LMNAMAPTFFAR1KMT2A
SCHEMBL18539159 0.82 CA9 (0.57) NPC1ALDH1A1KDM4ELMNAMAPT
SCHEMBL18539147 0.81 NPC1 (0.66) NPC1ALDH1A1KDM4EHPGDMAPT
SCHEMBL12008725 0.78 ALDH1A1 (0.69) NPC1ALDH1A1LMNAMAPTKMT2A
SCHEMBL20534357 0.73 AKR1B1 (0.78) MAPT
SCHEMBL20534356 0.73 AKR1B1 (0.78) MAPT
SCHEMBL12008718 0.73 MEN1 (0.65) NPC1ALDH1A1LMNAMAPTKMT2A
SCHEMBL12008713 0.72 POLB (0.62) ALDH1A1LMNAMAPTFFAR1KMT2A
SCHEMBL12008477 0.72 NPC1 (0.79) NPC1MAPTKMT2AMEN1
SCHEMBL12008766 0.69 FFAR1 (0.86) NPC1ALDH1A1KDM4ELMNAMAPT

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.

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