SCHEMBL4828679

SCHEMBL4828679

N#CCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.62
CTSS P25774 12/20 0.62
CTSB P07858 7/20 0.62
CTSK P43235 4/20 0.62
TACR1 P25103 1/20 0.60
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51

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
SCHEMBL28723295 1.00 CTSL (0.62) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7544219 0.93 CTSS (0.65) CTSLCTSSCTSBCTSKTACR1
SCHEMBL10385980 0.90 CTSS (0.62) CTSLCTSSCTSBCTSKTACR1
SCHEMBL8619373 0.90 CTSS (0.62) CTSLCTSSCTSBCTSKTACR1
SCHEMBL581315 0.88 CTSS (0.52) CTSLCTSSCTSBCTSKTACR1
SCHEMBL4280404 0.88 TACR1 (0.54) CTSLCTSSCTSBCTSKTACR1
SCHEMBL1479621 0.87 CTSS (0.61) CTSLCTSSCTSBCTSKTACR1
SCHEMBL28518198 0.86 TACR1 (0.53) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6560581 0.86 CTSS (0.64) CTSLCTSSCTSBCTSKTACR1
SCHEMBL6560575 0.86 CTSS (0.64) CTSLCTSSCTSBCTSKTACR1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624011-A Preparation method of L-pyroglutamic acid-14C 长沙贝塔医药科技有限公司 2024-03-01 CN claimed
CN-117624011-A Preparation method of L-pyroglutamic acid-14C 长沙贝塔医药科技有限公司 2024-03-01 CN disclosed
CN-117624011-A Preparation method of L-pyroglutamic acid-14C 长沙贝塔医药科技有限公司 2024-03-01 CN disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
US-8791103-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-8445525-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-7371743-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
US-5744612-A Process for preparation of 5- substituted tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 1998-04-28 US disclosed
EP-0796852-A1 Process for preparation of 5-substituted tetrazoles Toyo Kasei Kogyo Company Limited (JP) 1997-09-24 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 EP disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
EP-0562734-B1 Anti-tumour compounds containing quinazoline and tetrazole rings ZENECA LTD (GB) 1995-12-20 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed
EP-0562734-A1 Anti-tumour compounds containing quinazoline and tetrazole rings ZENECA LIMITED (GB) 1993-09-29 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 (2 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-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC CTSL 860/4885CTSS 939/4885CTSB 997/4885
US-20130237522-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS ASS1, GOT1, OAT CTSL 942/4885CTSS 1017/4885CTSB 865/4885

“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.