SCHEMBL6770155

SCHEMBL6770155

O=C(O)[C@H](Cc1ccccc1)NCC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
NPSR1 Q6W5P4 1/20 0.53
FPR2 P25090 2/20 0.51
ECE1 P42892 1/20 0.51
MME P08473 2/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.48
CPA1 P15085 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL6769409 0.87 ACE (0.56) ACEMMENAALAD2CPA1
SCHEMBL28452308 0.84 ACE (0.43) ACENPSR1FPR2ECE1
SCHEMBL20272503 0.83 NPSR1 (0.53) ACENPSR1MMENAALAD2CPA1
SCHEMBL22370612 0.82 FPR2 (0.43) ACEFPR2ECE1
SCHEMBL22370611 0.82 FPR2 (0.43) ACEFPR2ECE1
SCHEMBL4880143 0.81 MME (0.54) ACENPSR1MMENAALAD2CYP1A2
SCHEMBL5560323 0.81 MME (0.54) ACENPSR1MMENAALAD2CYP1A2
SCHEMBL626035 0.81 MME (0.54) ACENPSR1MMENAALAD2CYP1A2
SCHEMBL12207239 0.80 MME (0.57) ACENPSR1MMENAALAD2CPA1
SCHEMBL7596254 0.80 MME (0.57) ACENPSR1MMENAALAD2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-6794492-B2 N-(2,2,2-TRIFLUOROETHYL)GLYCINE DERIVATIVES; CAN BE USED TO PREPARE LIPOPHILIC PROTEINS ADAPTED FOR CROSSING THE BLOOD BRAIN BARRIER CLEMSON UNIVERSITY 2004-09-21 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2019-02-21 US disclosed
WO-2017075505-A2 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME TUFTS UNIVERSITY (US) 2017-05-04 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 (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-20190055279-A1 NOVEL POLYPEPTIDES WITH IMPROVED PROTEOLYTIC STABILITY, AND METHODS OF PREPARING AND USING SAME PTMS, ANPEP, DNPEP ACE 441/4885NPSR1 2132/4885FPR2 2005/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ACE 1529/4885NPSR1 2812/4885FPR2 3596/4885

“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.