SCHEMBL26401595

SCHEMBL26401595

COC(=O)c1cccc(OCF)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 3/20 0.44
POLB P06746 2/20 0.43
HPD P32754 4/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL30402800 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL26401575 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL24478646 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL30516693 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL3777362 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2521491 0.85 HPGD (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL28029191 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL26604443 0.83 KMT2A (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPD
SCHEMBL30662860 0.83 KMT2A (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPD
SCHEMBL8421994 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 ALDH1A1 1567/4885SMN1; SMN2 820/4885KMT2A 4256/4885

“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.