SCHEMBL2480396

SCHEMBL2480396

COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.65
ACE P12821 1/20 0.55
ATM Q13315 2/20 0.54
CTSS P25774 3/20 0.54
CTSB P07858 2/20 0.54
CTSK P43235 2/20 0.54
CTSL P07711 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 2/20 0.52
MDM4 O15151 1/20 0.50
MDM2 Q00987 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL11080212 0.98 KLK5 (0.67) KLK5ACEATMCTSSCTSB
SCHEMBL28582380 0.92 KLK5 (0.59) KLK5ACEATMCTSSCTSB
SCHEMBL23332639 0.92 KLK5 (0.59) KLK5ACEATMCTSSCTSB
SCHEMBL30872660 0.91 MAPT (0.54) KLK5ACECTSSCTSBCTSK
SCHEMBL11524728 0.91 MAPT (0.54) KLK5ACECTSSCTSBCTSK
SCHEMBL11862942 0.91 ACE (0.66) KLK5ACEATMCTSSCTSB
SCHEMBL18495333 0.91 ACE (0.66) KLK5ACEATMCTSSCTSB
SCHEMBL29275120 0.90 MDM4 (0.55) KLK5CTSSCTSKALDH1A1KMT2A
SCHEMBL19557762 0.89 ACE (0.56) KLK5ACEATMCTSSCTSB
SCHEMBL2482019 0.89 REN (0.60) KLK5CTSSCTSBCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-9024093-B2 Fluorination of organic compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-05 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
US-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-12-22 US disclosed
EP-2376408-A2 FLUORINATION OF ORGANIC COMPOUNDS President and Fellows of Harvard College (US) 2011-10-19 EP disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 WO disclosed
WO-2010059943-A2 FLUORINATION OF ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 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-20110312903-A1 FLUORINATION OF ORGANIC COMPOUNDS SLCO1B3, SLCO2B1, FLI1 KLK5 3379/4885ACE 3215/4885ATM 3496/4885

“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.