SCHEMBL318356

SCHEMBL318356

C[C@H](N)C(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.48
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 1/20 0.38
TP53 P04637 1/20 0.36
DPP4 P27487 2/20 0.32
GRIK1 P39086 1/20 0.32
ENPEP Q07075 2/20 0.32
GABRP O00591 4/20 0.32
GABRD O14764 4/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
GABRG2 P18507 4/20 0.32
GABRB3 P28472 4/20 0.32
GABRA5 P31644 4/20 0.32
GABRA3 P34903 4/20 0.32
GABRA2 P47869 4/20 0.32

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
SCHEMBL6974551 1.00 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL8966152 1.00 SLC7A5 (0.48) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL5514917 0.80 TP53 (0.42) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL13542998 0.80 TP53 (0.42) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL1604917 0.80 ALDH1A1 (0.39) SLC7A5ALDH1A1MAPTPTGS1TP53
SCHEMBL3891579 0.79 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL4441664 0.79 SLC7A5 (0.55) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
Methane SCHEMBL2033946 0.77 SLC7A5 (0.52) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL11536438 0.77 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1SLC1A3
SCHEMBL12563243 0.77 SLC7A5 (0.40) SLC7A5ALDH1A1MAPTPTGS1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026080-A Conjugates containing compounds providing a pi-electron pair 阿森迪斯药物股份有限公司 2022-02-08 CN disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 WO disclosed
EP-0697015-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES PHARMACIA & UPJOHN COMPANY (US) 1996-02-21 EP disclosed
WO-1994026708-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES THE UPJOHN COMPANY (US) 1994-11-24 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL SLC7A5 1119/4885ALDH1A1 739/4885MAPT 410/4885

“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.