Sugi Predict

Sugi Predict / Compounds / SCHEMBL313691

SCHEMBL313691

SCHEMBL313691

N=C(NO)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.53
▸ CA1 P00915 13/20 0.53
▸ CA9 Q16790 8/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA4 P22748 3/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ CA7 P43166 2/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NOS1 P29475 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ CA5A P35218 1/20 0.41

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
SCHEMBL410488 0.83 SMN1; SMN2 (0.50) —
SCHEMBL7119077 0.81 HDAC6 (0.60) CA2CA1CA9STAT3
SCHEMBL6929533 0.80 CA1 (0.59) CA2CA1CA9CA12CA4
SCHEMBL14972942 0.80 LMNA (0.50) CA2CA1MAPT
SCHEMBL312685 0.78 CA2 (0.60) CA2CA1CA9CA12CA4
SCHEMBL14973217 0.78 CA2 (0.52) CA2CA1CA9CA12CA4
SCHEMBL1805282 0.77 CA2 (0.59) CA2CA1CA9CA12CA4
SCHEMBL7913940 0.76 CA1 (0.64) CA2CA1CA9CA12CA4
SCHEMBL14973082 0.75 KMT2A (0.36) CA2CA1CA9CA12STAT3
Hydrochloric Acid SCHEMBL8815102 0.74 CA2 (0.51) CA2CA1CA9CA12CA4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 — — EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 — — EP disclosed
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 — — EP disclosed
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 — — EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 — — US disclosed
CN-101321525-B Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE 2013-01-30 — — CN disclosed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 — — US disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 — — EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 — — EP disclosed
CN-101321525-A Heteroaryl substituted piperidine derivatives as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2008-12-10 — — CN disclosed
CN-101273040-A Oxadiazolyl pyrazolopyrimidines as MGLUR2 antagonists HOFFMANN LA ROCHE (CH) 2008-09-24 — — CN disclosed
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 — — WO disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 — — EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 — — US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 — — WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — US disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 — — 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 (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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 CA2 2101/4885CA1 4351/4885CA9 4378/4885
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A CA2 2244/4885CA1 1915/4885CA9 4504/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 CA2 1428/4885CA1 1340/4885CA9 4052/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 CA2 2753/4885CA1 4222/4885CA9 4673/4885

“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.