SCHEMBL4092312

SCHEMBL4092312

CC(=O)Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.66
PSMB5 P28074 7/20 0.66
PSMB2 P49721 5/20 0.66
KDM4E B2RXH2 2/20 0.64
HRH3 Q9Y5N1 3/20 0.64
LTA4H P09960 3/20 0.59
HTT P42858 1/20 0.58
ACACB O00763 1/20 0.58

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
SCHEMBL11154787 1.00 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL10897426 0.99 PSMB1 (0.63) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL2741674 0.87 PSMB1 (0.68) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL2741675 0.87 PSMB1 (0.68) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL10897064 0.86 ALDH1A1 (0.67) KDM4EHRH3LTA4HACACB
SCHEMBL12315758 0.86 KDM4E (0.63) PSMB1PSMB5PSMB2KDM4EHRH3
Hydrochloric Acid SCHEMBL228735 0.86 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
Hydrochloric Acid SCHEMBL228395 0.86 PSMB1 (0.66) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL7240783 0.85 PSMB1 (0.65) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL16379389 0.85 PSMB1 (0.61) PSMB1PSMB5PSMB2KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181962-A1 Substituted thiophene compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2009-07-16 US disclosed
US-7358376-B2 Substituted Thiophene compounds ASTRAZENECA AB (SE) 2008-04-15 US disclosed
EP-1261600-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-05-06 EP disclosed
EP-1261600-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020107252-A1 Novel Compounds ASTRAZENECA AB (SE) 2002-08-08 US disclosed
WO-2001058890-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2001-08-16 WO disclosed
US-5604225-A DIETETICS; OBESITY DR. KARL THOMAE GMBH (DE) 1997-02-18 US disclosed
US-5457205-A Substituted thiazoles useful for treatment of diabetes DR. KARL THOMAE GMBH (DE) 1995-10-10 US disclosed
US-5219852-A Hypoglycemic agents, treatment of diabetes and obesity DR. KARL THOMAE GMBH (DE) 1993-06-15 US disclosed
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
US-4886814-A LOWER BLOOD SUGAR DR. KARL THOMAS GMBH (DE) 1989-12-12 US disclosed
EP-0239815-A1 Substituted thiazoles and oxazoles, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-10-07 EP disclosed
EP-0070133-B1 SECONDARY PHENYLETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION BEECHAM GROUP PLC (GB) 1986-05-14 EP disclosed
EP-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 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-20090181962-A1 Substituted thiophene compounds ABCG2, SULT1E1, TPMT PSMB1 3466/4885PSMB5 2173/4885PSMB2 2987/4885
US-20020107252-A1 Novel Compounds UGT1A1, CYP1B1, CYP1A1 PSMB1 2588/4885PSMB5 2008/4885PSMB2 2548/4885

“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.