SCHEMBL20514005

SCHEMBL20514005

N[C@H](Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.55
PKM P14618 2/20 0.55
ALPI P09923 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
USP2 O75604 2/20 0.46
RGS12 O14924 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
THPO P40225 1/20 0.46
CASP7 P55210 1/20 0.46
GNAI1 P63096 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 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
SCHEMBL188587 1.00 SLC7A5 (0.55) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL188588 1.00 SLC7A5 (0.55) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1660865 0.90 NOS3 (0.50) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL1660868 0.90 NOS3 (0.50) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL20889265 0.88 SLC7A5 (0.47) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL3622031 0.88 KDM4E (0.51) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL3620978 0.85 SLC7A5 (0.45) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL30544071 0.83 SLC7A5 (0.48) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL5672304 0.81 USP2 (0.50) SLC7A5PKMALPIPTGS1XIAP
SCHEMBL28551296 0.81 USP2 (0.50) SLC7A5PKMALPIPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
EP-3981784-A1 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-13 EP disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
WO-2021067439-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-08 WO disclosed
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2021-04-01 US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
EP-3313850-B1 NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-10-03 EP 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 (6 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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885ALPI 4284/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885ALPI 4284/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885ALPI 4284/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR SLC7A5 2832/4885PKM 4395/4885ALPI 4284/4885
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 SLC7A5 393/4885PKM 2063/4885ALPI 3457/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 SLC7A5 393/4885PKM 2063/4885ALPI 3457/4885

“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.