SCHEMBL3589352

SCHEMBL3589352

COC(=O)c1csc(C(N)CO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ABCB1 P08183 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
PTPRB P23467 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5731967 0.79 TLR7 (0.52) MAOAACHERAB9AMAPTNPC1
SCHEMBL28854039 0.78 MAOA (0.46) MAOAACHERAB9AMAPTNPC1
SCHEMBL22120789 0.78 MAOA (0.46) MAOAACHERAB9AMAPTNPC1
SCHEMBL19740969 0.76 MAOA (0.38) MAOAACHERAB9AMAPTNPC1
SCHEMBL19389074 0.76 ABCB1 (0.39) MAOAACHERAB9AMAPTNPC1
SCHEMBL12879880 0.76 ABCB1 (0.39) MAOAACHERAB9AMAPTNPC1
SCHEMBL1161842 0.76 RAB9A (0.43) MAOAACHERAB9AMAPTNPC1
SCHEMBL14765446 0.75 ABCB1 (0.38) MAOAACHERAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL28631038 0.75 ABCB1 (0.38) MAOAACHERAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL28631036 0.75 ABCB1 (0.38) MAOAACHERAB9AMAPTNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2010-05-06 US disclosed
US-20060161007-A1 Oxazole and thiazole combinatorial libraries M MARTIN LENORE 2006-07-20 US disclosed
EP-1169311-A4 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2004-09-15 EP disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 EP disclosed
WO-2000056724-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 WO disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 WO 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 (2 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-20100113305-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES OXA1L, SPOUT1, BCAT2 MAOA 3950/4885ACHE 3650/4885RAB9A 4646/4885
US-20060161007-A1 Oxazole and thiazole combinatorial libraries OXA1L, SPOUT1, BCAT2 MAOA 3950/4885ACHE 3650/4885RAB9A 4646/4885

“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.