SCHEMBL6716620

SCHEMBL6716620

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
AR P10275 1/20 0.53
ESR2 Q92731 1/20 0.53
PTPN2 P17706 3/20 0.52
PTPN1 P18031 3/20 0.52
PTPN5 P54829 3/20 0.52
HSPD1 P10809 2/20 0.52
HSPE1 P61604 2/20 0.52
THRB P10828 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B2 P37059 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PIK3CB P42338 1/20 0.45
CASP3 P42574 1/20 0.44
TOP2A P11388 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
SCHEMBL6720526 0.92 THRB (0.52) NR3C1PGRARESR2PTPN2
SCHEMBL6714887 0.91 TSHR (0.50) NR3C1PGRARESR2PTPN2
SCHEMBL6714954 0.89 THRB (0.50) NR3C1PGRARESR2PTPN2
SCHEMBL6724650 0.89 PTPN2 (0.48) NR3C1PGRARESR2PTPN2
SCHEMBL7124579 0.89 KDM1A (0.48) NR3C1PGRARESR2PTPN2
SCHEMBL6717978 0.88 THRB (0.49) NR3C1PGRARESR2PTPN2
SCHEMBL6718280 0.86 PGR (0.66) NR3C1PGRARESR2PTPN2
SCHEMBL6718780 0.84 SGK1 (0.47) LMNA
SCHEMBL6715116 0.83 CYP3A4 (0.49) LMNANPSR1KMT2AMEN1ACLY
SCHEMBL6720500 0.83 TSHR (0.50) NR3C1PGRARESR2PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (1 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A NR3C1 2751/4885PGR 3452/4885AR 108/4885

“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.