SCHEMBL718654

SCHEMBL718654

C[C@](NC(=O)O)(C(N)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HTT P42858 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KIF11 P52732 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
P2RX1 P51575 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL717273 1.00 MAPT (0.44) MAPTHTTKMT2AMEN1RAB9A
SCHEMBL719029 1.00 MAPT (0.44) MAPTHTTKMT2AMEN1RAB9A
SCHEMBL7904824 0.83 RXFP1 (0.48) MAPTHTTKMT2ACES2ALDH1A1
SCHEMBL7910019 0.83 RXFP1 (0.48) MAPTHTTKMT2ACES2ALDH1A1
SCHEMBL7907797 0.83 RXFP1 (0.48) MAPTHTTKMT2ACES2ALDH1A1
SCHEMBL15955100 0.82 MAPT (0.57) MAPTHTTKMT2AKIF11
SCHEMBL5220073 0.81 GAA (0.50) MAPTHTTKMT2AMEN1RAB9A
SCHEMBL31691810 0.77 MAPT (0.60) MAPTHTTKMT2ACES2ALDH1A1
SCHEMBL22655989 0.77 MAPT (0.60) MAPTHTTKMT2ACES2ALDH1A1
SCHEMBL25408879 0.76 PDE2A (0.45) MAPTHTTKMT2AMEN1RAB9A

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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A MAPT 4521/4885HTT 3507/4885KMT2A 4765/4885

“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.