SCHEMBL4293576

SCHEMBL4293576

COC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
HIF1A Q16665 1/20 0.61
EPAS1 Q99814 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TRPV1 Q8NER1 3/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MDH1 P40925 2/20 0.58
MDH2 P40926 2/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ADRB2 P07550 1/20 0.57
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL31503974 0.90 TRPV1 (0.70) ALDH1A1HIF1AEPAS1SMN1; SMN2TRPV1
SCHEMBL4295568 0.88 HIF1A (0.73) ALDH1A1HIF1AEPAS1SMN1; SMN2TRPV1
SCHEMBL5426307 0.86 MAPT (0.74) ALDH1A1SMN1; SMN2CA1CA2MAPT
SCHEMBL4296995 0.85 HIF1A (0.80) ALDH1A1HIF1AEPAS1SMN1; SMN2MAPT
SCHEMBL27090192 0.85 TRPV1 (0.64) ALDH1A1HIF1AEPAS1SMN1; SMN2TRPV1
SCHEMBL5431174 0.85 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL21588706 0.85 MEN1 (0.64) ALDH1A1HIF1AEPAS1TRPV1MAPT
SCHEMBL28579207 0.84 MEN1 (0.66) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL5424498 0.84 KMT2A (0.67) ALDH1A1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL2833331 0.83 MAPT (0.75) ALDH1A1SMN1; SMN2MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 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-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL ALDH1A1 499/4885HIF1A 2/4885EPAS1 14/4885

“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.