SCHEMBL5893140

SCHEMBL5893140

COC(=O)[C@H](Cc1ccc(B(O)O)c(C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 1/20 0.55
KYNU Q16719 1/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSK P43235 1/20 0.50
TACR1 P25103 2/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CAPN1 P07384 1/20 0.47

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
SCHEMBL5162574 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL5162151 0.85 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSLCTSB
Hydrochloric Acid SCHEMBL5162142 0.84 ALDH1A1 (0.55) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL329686 0.83 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL7151822 0.83 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL178751 0.83 ALDH1A1 (0.58) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL13536740 0.82 POLB (0.63) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL13536737 0.82 ATM (0.67) ALDH1A1ALOX15KYNUCTSLCTSB
Hydrochloric Acid SCHEMBL7928050 0.82 ALDH1A1 (0.72) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL17693596 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15KYNUCTSLCTSB

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-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US disclosed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US disclosed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO 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-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A ALDH1A1 4716/4885ALOX15 4613/4885KYNU 4563/4885

“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.