SCHEMBL18925501

SCHEMBL18925501

C[C@@H](C[N+](=O)[O-])c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
CNR1 P21554 8/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SERPINH1 P50454 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL17465534 0.80 CES2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL826770 0.80 CES2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27995445 0.78 CES2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27995447 0.78 CNR1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30053288 0.75 MEN1 (0.52) CNR1MEN1POLBKMT2A
SCHEMBL10247809 0.74 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4064040 0.74 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17466750 0.73 CNR1 (0.48) CNR1CES2CES1
SCHEMBL121043 0.73 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18652267 0.73 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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-20180093992-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2018-04-05 US disclosed
US-20170158701-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME LLC 2017-06-08 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 (2 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-20180093992-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, PEPD, DPP9 PSEN1 1506/4885PSEN2 1840/4885APH1B 830/4885
US-20170158701-A1 PROCESS FOR PREPARING CHIRAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, PEPD, DPP9 PSEN1 1464/4885PSEN2 1820/4885APH1B 798/4885

“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.