SCHEMBL2115643

SCHEMBL2115643

COC(=O)c1csc(CO)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 11/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
GAA P10253 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL14039608 0.86 MAPT (0.49) MAOAACHEMAPTNPC1RAB9A
SCHEMBL2172311 0.84 MAOA (0.46) MAOAACHEMAPTNPC1RAB9A
SCHEMBL1178250 0.84 MAOA (0.46) MAOAACHEMAPTNPC1RAB9A
SCHEMBL25256716 0.84 MAOA (0.49) MAOAACHEMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL9939317 0.83 MAPT (0.46) MAOAACHEMAPTNPC1RAB9A
SCHEMBL2838513 0.83 RAB9A (0.62) MAPTNPC1RAB9AHSP90AA1CYP1A2
SCHEMBL22335788 0.82 CYP4A11 (0.45) MAOAACHEMAPTNPC1RAB9A
SCHEMBL24838865 0.81 MAOA (0.43) MAOAACHEMAPTNPC1RAB9A
SCHEMBL29598578 0.81 MAOA (0.47) MAOAACHEMAPTNPC1RAB9A
SCHEMBL18764868 0.81 MAOA (0.43) MAOAACHEMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459207-B Cyclopenta[c]pyrrole-2-carboxylate derivatives, preparation thereof, and therapeutic use thereof SANOFI SA 2015-03-25 CN disclosed
CN-102459232-B 7-aza-spiro[3.5]nonane-7-carboxylate derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2014-05-07 CN disclosed
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 US disclosed
WO-2013149362-A1 1-(DIHYDRONAPHTHALENYL)PYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-10-10 WO disclosed
WO-2013149362-A1 1-(DIHYDRONAPHTHALENYL)PYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-10-10 WO disclosed
US-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-08-15 US disclosed
US-8394787-B2 7-aza-spiro[3.5]nonane-7-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 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 (3 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-20130211087-A1 7-AZA-SPIRO[3,5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FAAH, FAAH2, ASAH1 MAOA 143/4885ACHE 453/4885MAPT 4829/4885
US-20120129830-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF HDAC7, NR3C2, EPOR MAOA 1177/4885ACHE 4321/4885MAPT 4776/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 MAOA 1172/4885ACHE 4594/4885MAPT 3828/4885

“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.