SCHEMBL1461793

SCHEMBL1461793

COC(=O)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PRSS1 P07477 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
FUCA1 P04066 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL14501542 0.93 MAPK1 (0.55) ALDH1A1ALOX15MAPK1CYP3A4TSHR
SCHEMBL13807207 0.88 CYP3A4 (0.50) ALDH1A1ALOX15MAPK1CYP3A4TSHR
SCHEMBL19578530 0.88 HTT (0.53) ALDH1A1ALOX15LMNASMN1; SMN2TRPM8
SCHEMBL20299914 0.86 ALDH1A1 (0.62) ALDH1A1ALOX15CYP3A4TSHRLMNA
SCHEMBL17034708 0.86 ALDH1A1 (0.62) ALDH1A1ALOX15CYP3A4TSHRLMNA
SCHEMBL21563247 0.84 MAPT (0.57) ALDH1A1MAPK1CYP3A4TSHRLMNA
SCHEMBL10531968 0.83 MAPK1 (0.56) ALDH1A1MAPK1CYP3A4TSHRLMNA
SCHEMBL1687312 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1CYP3A4TSHRLMNA
SCHEMBL9491221 0.82 ATM (0.59) ALDH1A1ALOX15CYP3A4TSHRCTSL
SCHEMBL330432 0.82 ATM (0.59) ALDH1A1ALOX15CYP3A4TSHRCTSL

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-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
WO-2011028492-A2 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR ALDH1A1 2421/4885ALOX15 2649/4885MAPK1 1214/4885

“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.