SCHEMBL5077798

SCHEMBL5077798

c1csc(-c2cc[nH]c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADRB2 P07550 2/20 0.43
SMPD3 Q9NY59 1/20 0.39
HSP90AA1 P07900 1/20 0.38
METAP1 P53582 1/20 0.38
RAB9A P51151 1/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
CHEK1 O14757 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL722198 0.75 PDPK1 (0.77) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL13575353 0.72 PDPK1 (0.48) PDPK1LOXL2CYP2A6ADRB2SMPD3
2-Phenylthiazole SCHEMBL70646 0.70 PDPK1 (1.00) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL1653986 0.70 PDPK1 (0.68) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1LOXL2CYP2A6ADRB2SMPD3
2-Phenylthiazole SCHEMBL4939218 0.68 PDPK1 (0.95) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL15805858 0.68 PDPK1 (0.72) PDPK1LOXL2CYP2A6ADRB2SMPD3
2-Phenylthiazole SCHEMBL10519953 0.68 PDPK1 (0.95) PDPK1LOXL2CYP2A6ADRB2SMPD3
2-Phenylthiazole SCHEMBL10667585 0.68 PDPK1 (0.95) PDPK1LOXL2CYP2A6ADRB2SMPD3
SCHEMBL17704291 0.68 PDPK1 (0.65) PDPK1LOXL2CYP2A6ADRB2SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118934-B2 Inhibitors of UDP-galactopyranose mutase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-11-06 US disclosed
US-20170283437-A1 Inhibitors of UDP-Galactopyranose Mutase WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-10-05 US disclosed
US-9708344-B2 Inhibitors of UDP-galactopyranose mutase WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-07-18 US disclosed
US-20150344501-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-03 US disclosed
CN-100474655-C Organic light-emitting element, method for manufacturing organic light-emitting element, image forming apparatus, and display apparatus MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2009-04-01 CN disclosed
US-7393959-B2 Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO. INC. (US) 2008-07-01 US disclosed
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US disclosed
EP-1613265-A4 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-02-14 EP disclosed
US-20060193926-A1 Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2006-08-31 US disclosed
CN-1794990-A Diaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-06-28 CN disclosed
EP-1613265-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP disclosed
CN-1711804-A Organic light-emitting element, method for manufacturing organic light-emitting element, image forming apparatus, and display apparatus MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2005-12-21 CN disclosed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US disclosed
EP-1458710-A4 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-04-20 EP disclosed
WO-2004089308-A2 DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 WO disclosed
EP-1458710-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003059904-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-07-24 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-20170283437-A1 Inhibitors of UDP-Galactopyranose Mutase UGDH, GALE, UGGT1 PDPK1 1204/4885LOXL2 1573/4885CYP2A6 2830/4885
US-20150344501-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE UGDH, GALE, UGGT1 PDPK1 1204/4885LOXL2 1573/4885CYP2A6 2830/4885
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C PDPK1 1058/4885LOXL2 3862/4885CYP2A6 2345/4885
US-10118934-B2 Inhibitors of UDP-galactopyranose mutase UGDH, GALE, UGGT1 PDPK1 1204/4885LOXL2 1573/4885CYP2A6 2830/4885
US-20060193926-A1 Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2B PDPK1 922/4885LOXL2 4023/4885CYP2A6 1537/4885

“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.