Sugi Predict

Sugi Predict / Compounds / SCHEMBL2297191

SCHEMBL2297191

SCHEMBL2297191

O=C(O)[C@@H]1CCCN1C(=S)c1cc(-c2cccc(Nc3nc4ccc(F)cc4s3)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ DGAT1 O75907 4/20 0.39
▸ CLK1 P49759 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HCRTR1 O43613 5/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ HCRTR2 O43614 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ CSGALNACT1 Q8TDX6 1/20 0.36

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
SCHEMBL2297206 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTDGAT1
SCHEMBL2296296 0.93 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTDGAT1
SCHEMBL2296320 0.93 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTDGAT1
SCHEMBL2294787 0.92 HCRTR1 (0.40) RAB9ASMN1; SMN2NPC1MAPTCLK1
SCHEMBL2294778 0.92 HCRTR1 (0.40) RAB9ASMN1; SMN2NPC1MAPTCLK1
SCHEMBL2296652 0.85 LMNA (0.42) RAB9ASMN1; SMN2NPC1MAPTCLK1
SCHEMBL2296648 0.85 LMNA (0.42) RAB9ASMN1; SMN2NPC1MAPTCLK1
SCHEMBL2294278 0.84 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTDGAT1
SCHEMBL2294264 0.84 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MAPTDGAT1
SCHEMBL2295352 0.81 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1MAPTDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 — — US claimed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 — — US claimed
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 — — US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 — — US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 — — WO disclosed
WO-2010024903-A1 BENZO[d]OXAZOLES AND BENZO[d]THIAZOLES AS KINASE INHIBITORS FENG YANGBO (US) 2010-03-04 — — 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 (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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT RAB9A 3753/4885SMN1; SMN2 4532/4885NPC1 436/4885

“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.