SCHEMBL27199735

SCHEMBL27199735

O=C(O)[C@@H]1CCCN1C1CC1(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.38
REN P00797 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL2494405 0.74 ACE (0.42) ACERENLMNAHSD17B10
SCHEMBL15664979 0.74 ACE (0.42) ACERENLMNAHSD17B10
SCHEMBL206311 0.74 ACE (0.42) ACERENLMNAHSD17B10
SCHEMBL9103455 0.74 ACE (0.40) ACERENKDM4EF2LMNA
SCHEMBL2223045 0.72 ACE (0.43) ACERENLMNAHSD17B10
SCHEMBL1952767 0.72 ACE (0.41) ACEREN
SCHEMBL9107688 0.72 ACE (0.41) ACEREN
SCHEMBL28152243 0.72 ACE (0.43) ACERENLMNAHSD17B10
SCHEMBL28152132 0.72 ACE (0.43) ACERENLMNAHSD17B10
SCHEMBL2223050 0.72 ACE (0.43) ACERENLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 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-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 ACE 4710/4885REN 4280/4885KDM4E 4877/4885

“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.