SCHEMBL4595466

SCHEMBL4595466

COc1ccccc1C[C@@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.55
NOS1 P29475 3/20 0.55
NOS2 P35228 3/20 0.55
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC1A5 Q15758 1/20 0.49
ALDH1A1 P00352 2/20 0.49

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
SCHEMBL155234 1.00 NOS3 (0.55) NOS3NOS1NOS2ALPIPKM
SCHEMBL29750308 1.00 NOS3 (0.55) NOS3NOS1NOS2ALPIPKM
SCHEMBL155235 1.00 NOS3 (0.55) NOS3NOS1NOS2ALPIPKM
SCHEMBL22190028 0.88 NOS3 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL7418862 0.88 NOS3 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL7375715 0.86 ALDH1A1 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL29785614 0.86 ALDH1A1 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL7885274 0.86 ALDH1A1 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL30013379 0.86 ALDH1A1 (0.50) NOS3NOS1NOS2ALPIPKM
SCHEMBL13957680 0.86 IDO1 (0.53) NOS3NOS1NOS2ALPIPKM

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 20 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
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
CN-108137497-B Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-15 CN 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
EP-3313817-B1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-09-16 EP disclosed
US-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-04-14 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-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-08-15 US disclosed
US-10323041-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-06-18 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
US-20180258098-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-13 US disclosed
CN-108137497-A Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2018-06-08 CN disclosed
CN-107709334-A New amino acid derivativges, its preparation method and include their Pharmaceutical composition 法国施维雅药厂 2018-02-16 CN disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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 (11 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 NOS3 4581/4885NOS1 4646/4885NOS2 4457/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR NOS3 4581/4885NOS1 4646/4885NOS2 4457/4885
US-10618909-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, CASP3, CASP4 NOS3 1017/4885NOS1 1239/4885NOS2 1494/4885
US-20180258098-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP3, CASP4 NOS3 1040/4885NOS1 1293/4885NOS2 1557/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR NOS3 4581/4885NOS1 4646/4885NOS2 4457/4885
US-20210094933-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR NOS3 4581/4885NOS1 4646/4885NOS2 4457/4885
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 NOS3 569/4885NOS1 388/4885NOS2 196/4885
US-20190248805-A1 BICYCLIC DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP3, CASP4 NOS3 1017/4885NOS1 1239/4885NOS2 1494/4885
US-10323041-B2 Bicyclic derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, CASP3, CASP4 NOS3 1017/4885NOS1 1239/4885NOS2 1494/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 NOS3 4092/4885NOS1 3509/4885NOS2 3650/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 NOS3 569/4885NOS1 388/4885NOS2 196/4885

“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.