SCHEMBL2482019

SCHEMBL2482019

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.60
BIRC2 Q13490 1/20 0.53
KLK5 Q9Y337 1/20 0.53
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52
CTSS P25774 2/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
CTSK P43235 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL16687797 0.90 REN (0.58) RENKLK5PSEN1PSEN2APH1B
SCHEMBL12962538 0.90 REN (0.58) RENKLK5PSEN1PSEN2APH1B
SCHEMBL2480396 0.89 KLK5 (0.65) KLK5CTSSCTSBCTSLCTSK
SCHEMBL30052641 0.89 REN (0.62) RENCTSSCTSBCTSLCTSK
SCHEMBL11085637 0.88 REN (0.65) RENCTSSCTSBCTSLCTSK
SCHEMBL23106755 0.88 REN (0.68) RENBIRC2KLK5PSEN1PSEN2
SCHEMBL18229265 0.88 REN (0.68) RENBIRC2KLK5PSEN1PSEN2
SCHEMBL6857159 0.88 REN (0.68) RENBIRC2KLK5PSEN1PSEN2
SCHEMBL1913543 0.88 REN (0.68) RENBIRC2KLK5PSEN1PSEN2
SCHEMBL22962098 0.88 REN (0.68) RENBIRC2KLK5PSEN1PSEN2

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 REN 4259/4885BIRC2 2841/4885KLK5 3379/4885

“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.