SCHEMBL3573474

SCHEMBL3573474

CC(Oc1ccc(Oc2ccc3ccc(Cl)cc3n2)cc1)[13C](=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
HIF1A Q16665 1/20 0.57
GMNN O75496 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
APEX1 P27695 1/20 0.57
PMP22 Q01453 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MAP4K4 O95819 2/20 0.46

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
SCHEMBL3885170 1.00 CYP1A2 (0.57) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL3887207 1.00 CYP1A2 (0.57) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL3893051 0.99 CYP1A2 (0.56) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL27259282 0.91 CYP1A2 (0.56) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL9587966 0.91 CYP1A2 (0.56) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL3893049 0.88 MAPT (0.74) CYP1A2MAPTTP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL10946610 0.86 MAPT (0.46) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL3886045 0.86 AKR1C3 (0.47) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL13316457 0.86 TDP1 (0.48) CYP1A2MAPTTP53CYP3A4ALOX15
SCHEMBL27259406 0.86 TDP1 (0.48) CYP1A2MAPTTP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728007-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2010-06-01 US disclosed
US-7585863-B2 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid WAYNE STATE UNIVERSITY (US) 2009-09-08 US disclosed
US-20090076073-A1 THERAPEUTIC AMIDES WAYNE STATE UNIVERSITY 2009-03-19 US disclosed
US-20060293333-A1 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid WAYNE STATE UNIVERSITY 2006-12-28 US disclosed
US-7109341-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2006-09-19 US disclosed
US-20040132618-A1 Therapeutic amides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 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 (3 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-20060293333-A1 Antitumor agents; such as (2-(4-(7-Chloro-2-quinoxalinyl)oxy)propionylamino ethansulfonic acid; {2-{4-(7-Chloro-quinoxalin-2-yloxy)-phenoxy}propionyl amino}acetic acid ANXA5, TP53, PRDX6 CYP1A2 3160/4885MAPT 4832/4885TP53 2/4885
US-20040132618-A1 Therapeutic amides HDAC5, HDAC6, ASAH2 CYP1A2 3469/4885MAPT 3239/4885TP53 103/4885
US-20090076073-A1 THERAPEUTIC AMIDES HDAC5, HDAC6, ASAH2 CYP1A2 3511/4885MAPT 3590/4885TP53 107/4885

“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.