SCHEMBL21292956

SCHEMBL21292956

C#CCOc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
HSP90AA1 P07900 1/20 0.69
HSP90AB1 P08238 1/20 0.69
LTA4H P09960 1/20 0.69
PLA2G2A P14555 1/20 0.69
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
TSHR P16473 2/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
HTR1A P08908 2/20 0.61
HTR2A P28223 2/20 0.61
HTR2C P28335 2/20 0.61
HTR2B P41595 2/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
ALOX15 P16050 1/20 0.61

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
SCHEMBL19666078 1.00 KMT2A (0.69) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL19666080 1.00 KMT2A (0.69) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Hydrochloric Acid SCHEMBL21292898 0.99 KMT2A (0.68) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Hydrochloric Acid SCHEMBL21292896 0.99 KMT2A (0.68) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL21310046 0.88 KMT2A (0.54) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL28511262 0.88 KMT2A (0.54) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Hydrochloric Acid SCHEMBL30181016 0.87 KMT2A (0.53) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
Hydrochloric Acid SCHEMBL28510961 0.87 KMT2A (0.53) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL14301170 0.85 KMT2A (0.73) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL30688367 0.85 KMT2A (0.73) KMT2AMEN1HSP90AA1HSP90AB1LTA4H

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
WO-2023092133-A1 STEREOSELECTIVE COVALENT LIGANDS FOR ONCOGENIC AND IMMUNOLOGICAL PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-25 WO disclosed
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 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 (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-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 KMT2A 2510/4885MEN1 1772/4885HSP90AA1 452/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 KMT2A 2475/4885MEN1 1681/4885HSP90AA1 533/4885

“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.