SCHEMBL2197917

SCHEMBL2197917

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(OC(=O)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
OPRD1 P41143 4/20 0.49
FOLH1 Q04609 1/20 0.48
MME P08473 2/20 0.47
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
NPY4R P50391 1/20 0.44

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
SCHEMBL2195736 0.88 NPY1R (0.49) OPRD1FOLH1NPY1RNPY2RNPY4R
Trifluoroacetic Acid SCHEMBL2197916 0.86 FOLH1 (0.62) LTA4HOPRD1FOLH1MMENPY1R
SCHEMBL8580267 0.85 OPRD1 (0.63) OPRD1
Trifluoroacetic Acid SCHEMBL28610620 0.84 LTA4H (0.67) LTA4HOPRD1MME
SCHEMBL7443503 0.83 ACE (0.45) MME
SCHEMBL29666997 0.83 LTA4H (0.54) LTA4HOPRD1FOLH1MMENPY1R
SCHEMBL9822809 0.82 FOLH1 (0.69) LTA4HOPRD1FOLH1MMENPY1R
SCHEMBL29532240 0.82 FOLH1 (0.69) LTA4HOPRD1FOLH1MMENPY1R
SCHEMBL14940816 0.82 FOLH1 (0.69) LTA4HOPRD1FOLH1MMENPY1R
SCHEMBL11363918 0.82 OPRK1 (0.54)

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-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST LTA4H 4098/4885OPRD1 3859/4885FOLH1 287/4885

“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.