SCHEMBL1606887

SCHEMBL1606887

Cn1c(-c2cncc(C(NC(=O)OC(C)(C)C)S(C)(=O)=O)c2)c(C#N)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.52
CYP11B1 P15538 2/20 0.40
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.37
CTSS P25774 6/20 0.34
CTSK P43235 5/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
RET P07949 1/20 0.32
NSD2 O96028 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL1606891 0.76 CYP11B2 (0.53) CYP11B2CYP11B1CYP19A1MAOANSD2
SCHEMBL1606889 0.75 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1606259 0.72 CYP11B2 (0.79) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL13122291 0.72 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1606394 0.70 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL3674058 0.70 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1605467 0.69 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1687013 0.69 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1605856 0.69 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL1605961 0.68 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885CYP19A1 68/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885CYP19A1 55/4885

“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.