SCHEMBL7405402

SCHEMBL7405402

O=C(CC1CCCC1)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.43
NAAA Q02083 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.40
PPARA Q07869 1/20 0.39
FAAH O00519 1/20 0.39
HSD11B1 P28845 1/20 0.38
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL7405405 1.00 IDH1 (0.43) IDH1NAAANPC1RAB9AEPHX2
SCHEMBL16586003 0.99 IDH1 (0.44) IDH1NAAANPC1RAB9AEPHX2
SCHEMBL2073646 0.99 IDH1 (0.44) IDH1NAAANPC1RAB9AEPHX2
SCHEMBL7331796 0.97 NAAA (0.43) IDH1NAAANPC1RAB9AEPHX2
SCHEMBL7501411 0.97 NAAA (0.43) IDH1NAAANPC1RAB9AEPHX2
SCHEMBL292406 0.95 NAAA (0.44) IDH1NAAAALDH1A1PPARAFAAH
SCHEMBL15873097 0.95 NAAA (0.44) IDH1NAAAALDH1A1PPARAFAAH
SCHEMBL292405 0.95 NAAA (0.44) IDH1NAAAALDH1A1PPARAFAAH
SCHEMBL4610287 0.90 NAAA (0.41) IDH1NAAAALDH1A1PPARAFAAH
SCHEMBL6034432 0.90 NAAA (0.41) IDH1NAAAALDH1A1PPARAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11396497-B2 Proteasome inhibitors NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2022-07-26 US disclosed
US-20210363119-A1 PROTEASOME INHIBITORS NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2021-11-25 US disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 EP disclosed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO disclosed
US-6329373-B1 AMIDES WITH HYDROXYAMIDES AS ENZYME INHIBITORS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2001-12-11 US disclosed
US-6310084-B1 INHIBITORS OF METALLOPROTEASES INVOLVED IN TISSUE DEGRADATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-10-30 US disclosed
EP-0873304-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2001-09-05 EP disclosed
US-6127427-A ACTIVE HYDROXAMIC ACIDS INVOLVED IN TISSUE DEGRADTION AND ALSO ARE INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR FROM CELLS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, VISION DEFECTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-03 US disclosed
EP-0983229-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-08 EP disclosed
WO-1998052910-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-11-26 WO disclosed
WO-1992016501-A1 TETRAHYDROXYALKANE DERIVATIVES AS INHIBITORS OF HIV ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-10-01 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 (3 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-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD IDH1 1490/4885NAAA 107/4885NPC1 3507/4885
US-20210363119-A1 PROTEASOME INHIBITORS TP53, CDKN1A, PSME1 IDH1 2162/4885NAAA 3891/4885NPC1 3653/4885
US-11396497-B2 Proteasome inhibitors TP53, CDKN1A, PSME1 IDH1 2162/4885NAAA 3891/4885NPC1 3653/4885

“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.