SCHEMBL12645129

SCHEMBL12645129

CC(C)(C)OC(=O)NCc1cccc(C[C@@H](N)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.64
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
GLS O94925 3/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
GRIA2 P42262 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSB P07858 2/20 0.46

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
SCHEMBL19143295 1.00 SLC7A5 (0.64) SLC7A5NOS3NOS1NOS2GLS
SCHEMBL5261267 0.88 GLS (0.51) SLC7A5GLSCTSSCTSKCTSB
SCHEMBL5264017 0.88 GLS (0.51) SLC7A5GLSCTSSCTSKCTSB
SCHEMBL23655580 0.88 SLC7A5 (0.61) SLC7A5NOS3NOS1NOS2ALPI
SCHEMBL12463672 0.87 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12463287 0.87 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20038756 0.87 SLC7A5 (0.52) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL25968478 0.86 GLS (0.49) SLC7A5GLSCTSSCTSKCTSB
SCHEMBL13821569 0.85 GLS (0.48) SLC7A5GLSCTSSCTSKCTSB
Dl-Phenylalanine SCHEMBL29065230 0.84 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-10287576-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2019-05-14 US disclosed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
US-9574189-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2017-02-21 US disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 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 (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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 SLC7A5 1759/4885NOS3 4215/4885NOS1 3808/4885

“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.