SCHEMBL26401575

SCHEMBL26401575

CCOc1cccc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HCRTR1 O43613 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL28029191 0.89 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL29588719 0.89 TSHR (0.51) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL23294948 0.89 TSHR (0.51) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL30114661 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL28625932 0.88 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30402800 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL26401595 0.87 ALDH1A1 (0.50) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL7828058 0.87 GLA (0.50) ALDH1A1MAPTL3MBTL1LMNAHTT
SCHEMBL2521491 0.86 HPGD (0.52) ALDH1A1MAPTL3MBTL1LMNAKMT2A
SCHEMBL10908860 0.85 POLB (0.47) ALDH1A1MAPTL3MBTL1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925100-A Substituted thiophenoquinolinone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-10-24 CN disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 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 (2 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885MAPT 4755/4885L3MBTL1 3373/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885MAPT 4755/4885L3MBTL1 3373/4885

“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.