Sugi Predict

Sugi Predict / Compounds / SCHEMBL17290922

SCHEMBL17290922

SCHEMBL17290922

CN1N=C(c2ccc(C(=O)O)cc2)C(C)(NO)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ RARB P10826 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ BAD Q92934 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL17290856 0.88 BRD4 (0.38) ADORA2BADORA2ACHEK1SMN1; SMN2HSD11B1
SCHEMBL17290549 0.85 NCOA1 (0.40) HPGDMAPTCYP1A2TP53TSHR
SCHEMBL17291029 0.80 — —
SCHEMBL17290704 0.79 NAMPT (0.37) KDM4E
SCHEMBL17291016 0.79 JAK2 (0.39) CYP1A2TSHRPOLBSMN1; SMN2
SCHEMBL17290799 0.76 SYK (0.35) —
SCHEMBL17290979 0.76 NAMPT (0.39) HPGDRXRAADORA2BADORA1ADORA2A
SCHEMBL17290882 0.76 KIF11 (0.40) MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL17290518 0.75 — —
SCHEMBL17290860 0.71 PIK3CD (0.39) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US claimed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US claimed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 — — EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 — — WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 — — 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 (1 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 HPGD 19/4885RXRA 1679/4885RXRB 1223/4885

“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.