SCHEMBL4331889

SCHEMBL4331889

CC(NCCC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
APAF1 O14727 1/20 0.49
CYP3A4 P08684 2/20 0.49
CASR P41180 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
SMPD1 P17405 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49

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
Hydrochloric Acid SCHEMBL7265962 0.88 KMT2A (0.46) CA12CA7CA9CA14APAF1
SCHEMBL6551973 0.85 CA12 (0.40) CA12CA7CA9CA14CYP2D6
SCHEMBL27551142 0.85 L3MBTL1 (0.54) APAF1CYP3A4CASRCHRM2HTR1A
SCHEMBL27570822 0.85 L3MBTL1 (0.54) APAF1CYP3A4CASRCHRM2HTR1A
SCHEMBL19193984 0.85 L3MBTL1 (0.54) APAF1CYP3A4CASRCHRM2HTR1A
SCHEMBL23135630 0.84 CA12 (0.65) CA12CA7CA9CA14APAF1
SCHEMBL2750779 0.84 CA12 (0.65) CA12CA7CA9CA14APAF1
SCHEMBL2276846 0.84 ALDH1A1 (0.41) ALDH1A1CTSK
SCHEMBL4709711 0.81 MALT1 (0.51) APAF1CYP3A4CASRCHRM2HTR1A
SCHEMBL4705684 0.81 MALT1 (0.51) APAF1CYP3A4CASRCHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102707-A2 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009102707-A2 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 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-20090202540-A1 SUBSTITUTED OXAZAPHOSPHORINES TYMP, PAICS, CD47 CA12 619/4885CA7 1394/4885CA9 1316/4885

“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.