Sugi Predict

Sugi Predict / Compounds / SCHEMBL1606891

SCHEMBL1606891

SCHEMBL1606891

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 9/20 0.53
▸ CYP11B1 P15538 2/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HK1 P19367 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ NSD2 O96028 1/20 0.30

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
SCHEMBL1606398 0.78 CYP11B2 (0.42) CYP11B2KMT2A
SCHEMBL27981786 0.78 CYP11B2 (0.32) CYP11B2
SCHEMBL1606887 0.76 CYP11B2 (0.52) CYP11B2CYP11B1CYP19A1MAOASMN1; SMN2
SCHEMBL1606889 0.76 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1MAOAALDH1A1
SCHEMBL1606259 0.74 CYP11B2 (0.79) CYP11B2CYP11B1CYP19A1MAOAEGFR
SCHEMBL3674058 0.73 CYP11B2 (0.61) CYP11B2CYP11B1CYP19A1MAOAEGFR
SCHEMBL13122291 0.72 CYP11B2 (0.59) CYP11B2CYP11B1CYP19A1MAOAEGFR
SCHEMBL3685276 0.71 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1MAOAEGFR
SCHEMBL1605467 0.70 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1MAOAEGFR
SCHEMBL1605856 0.70 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1MAOAEGFR

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.