SCHEMBL88913

SCHEMBL88913

O=S1(=O)CC(=S)Nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.65
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NOX1 Q9Y5S8 1/20 0.50
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HK1 P19367 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
GALK1 P51570 1/20 0.42

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
SCHEMBL88748 0.78 PLCG1 (1.00) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL18173741 0.77 PLCG1 (0.65) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL13938220 0.73 PLCG1 (0.59) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL18173744 0.68 PLCG1 (0.53) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL18173621 0.68 PLCG1 (0.53) PLCG1KMT2AMEN1NOX1CYP1A2
SCHEMBL6553217 0.68 CA12 (0.62) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL29796329 0.68 PLCG1 (0.68) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL5119459 0.68 PLCG1 (0.68) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL29489792 0.68 KMT2A (1.00) PLCG1KMT2AMEN1NOX1CA12
SCHEMBL1021854 0.68 KMT2A (1.00) PLCG1KMT2AMEN1NOX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (7 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE PLCG1 4698/4885KMT2A 3027/4885MEN1 1534/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PLCG1 4085/4885KMT2A 3192/4885MEN1 2386/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PLCG1 4090/4885KMT2A 3129/4885MEN1 2336/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 PLCG1 3316/4885KMT2A 118/4885MEN1 177/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B PLCG1 2186/4885KMT2A 296/4885MEN1 2341/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO PLCG1 3921/4885KMT2A 3979/4885MEN1 2792/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO PLCG1 2898/4885KMT2A 2912/4885MEN1 2834/4885

“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.