SCHEMBL42486

SCHEMBL42486

NC(=O)c1ccccc1C[C@@H](N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.59
NOS1 P29475 3/20 0.59
NOS2 P35228 3/20 0.59
SLC7A5 Q01650 3/20 0.56
PKM P14618 2/20 0.56
ALPI P09923 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
KMT2A Q03164 2/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 2/20 0.50
MPO P05164 1/20 0.50
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47

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
SCHEMBL29637605 1.00 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL42487 1.00 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL30440587 1.00 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL668476 1.00 NOS3 (0.59) NOS3NOS1NOS2SLC7A5PKM
Hydrochloric Acid SCHEMBL4422373 0.98 NOS3 (0.58) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL29155392 0.88 SLC7A5 (0.55) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL31370153 0.87 PKM (0.58) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL29475631 0.87 PKM (0.58) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL1527683 0.87 PKM (0.58) NOS3NOS1NOS2SLC7A5PKM
SCHEMBL1527682 0.87 PKM (0.58) NOS3NOS1NOS2SLC7A5PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 US disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 US disclosed
US-11674136-B2 DNA-templated macrocycle library PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-13 US disclosed
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
WO-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 WO 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
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-24 US disclosed
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-24 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
WO-2019168654-A9 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-10-17 WO 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
EP-1890684-B1 Treatment of sleep-wake disorders SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-14 EP disclosed
EP-2590645-A2 METHODS FOR TREATING BIPOLAR DISORDER SK Biopharmaceuticals Co., Ltd. (KR) 2013-05-15 EP disclosed
WO-2012002687-A2 METHODS FOR TREATING BIPOLAR DISORDER SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-01-05 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 (5 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-11674136-B2 DNA-templated macrocycle library IDE, IAPP, POLRMT NOS3 3172/4885NOS1 3557/4885NOS2 3753/4885
US-20200399634-A1 DNA-TEMPLATED MACROCYCLE LIBRARY IDE, IAPP, POLRMT NOS3 3172/4885NOS1 3557/4885NOS2 3753/4885
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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 NOS3 2841/4885NOS1 1185/4885NOS2 2556/4885
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.