SCHEMBL5044548

SCHEMBL5044548

O=S(=O)(Nc1c[c]ccc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PGR P06401 1/20 0.55
RORA P35398 1/20 0.53
RORC P51449 1/20 0.53
NR1H2 P55055 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
HCRTR1 O43613 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
PFKFB3 Q16875 1/20 0.49
HDAC1 Q13547 2/20 0.48
TYMS P04818 1/20 0.48
MAPT P10636 1/20 0.47
GHSR Q92847 1/20 0.46
EDNRB P24530 2/20 0.45
EDNRA P25101 2/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
F2 P00734 1/20 0.44

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
SCHEMBL5046687 0.84 TSHR (0.64) TSHRPGRRORARORCNR1H2
SCHEMBL31110643 0.82 TSHR (0.74) TSHRPGRRORARORCNR1H2
SCHEMBL812673 0.82 TSHR (0.74) TSHRPGRRORARORCNR1H2
SCHEMBL3332612 0.80 EDNRA (0.63) TSHRHDAC1EDNRA
SCHEMBL5609175 0.79 ALDH1A1 (0.56) ALDH1A1MAPTEDNRBEDNRAPTPN2
SCHEMBL9478942 0.77 TSHR (0.71) TSHRPGRRORARORCNR1H2
SCHEMBL9616708 0.75 MEN1 (0.64) TSHRPGRRORCHCRTR1ALDH1A1
SCHEMBL9616665 0.75 ALDH1A1 (0.56) TSHRPGRRORARORCNR1H2
SCHEMBL9616624 0.75 ALDH1A1 (0.56) TSHRPGRRORARORCNR1H2
SCHEMBL3259317 0.75 ALDH1A1 (0.64) TSHRPGRRORARORCNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250325-B1 PHENANTHRIDINE-N-OXIDES NYCOMED GMBH (DE) 2008-05-07 EP disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
US-6630483-B2 Phenanthridine-N-oxides ALTANA PHARMA AG (DE) 2003-10-07 US disclosed
US-20030105123-A1 For therapy of respiratory system disorders ALTANA PHARMA AG (DE) 2003-06-05 US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
EP-1250325-A1 PHENANTHRIDINE-N-OXIDES ALTANA Pharma AG (DE) 2002-10-23 EP disclosed
EP-0889886-B1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION ALTANA PHARMA AG (DE) 2002-09-18 EP disclosed
WO-2001051470-A1 PHENANTHRIDINE-N-OXIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-07-19 WO disclosed
US-6127378-A A PHOSPHODIESTERASE ENZYME INHIBITOR AS BRONCHIAL THERAPEUTICS, AN ANTIINFLAMMATORY AGENT TREATING ASTHMA PROPHYLAXIS, SKIN DISORDERS, INTESTINE DISORDERS, EYE DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, JOINTS DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-03 US disclosed
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 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 (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-20030105123-A1 For therapy of respiratory system disorders CHRM3, CYP11B1, CYP11B2 TSHR 183/4885PGR 1707/4885RORA 471/4885
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP TSHR 1917/4885PGR 4533/4885RORA 4304/4885

“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.