SCHEMBL6718280

SCHEMBL6718280

O=S(=O)(Nc1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.66
NR3C1 P04150 1/20 0.66
AR P10275 1/20 0.66
ESR2 Q92731 1/20 0.66
PTPN2 P17706 3/20 0.46
PTPN1 P18031 3/20 0.46
PTPN5 P54829 3/20 0.46
HSPD1 P10809 2/20 0.46
HSPE1 P61604 2/20 0.46
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 1/20 0.44
IDH2 P48735 2/20 0.43
MAPT P10636 1/20 0.43
RXRA P19793 1/20 0.42

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
SCHEMBL6716620 0.86 NR3C1 (0.53) PGRNR3C1ARESR2PTPN2
SCHEMBL6718287 0.86 FFAR1 (0.47) PGRNR3C1ARESR2MAPT
SCHEMBL7124579 0.86 KDM1A (0.48) PGRNR3C1ARESR2PTPN2
SCHEMBL6724650 0.86 PTPN2 (0.48) PGRNR3C1ARESR2PTPN2
SCHEMBL6724676 0.85 PGR (0.62) PGRPLAU
SCHEMBL6776203 0.83 FFAR1 (0.60) PGRARLMNA
SCHEMBL6720526 0.82 THRB (0.52) PGRNR3C1ARESR2PTPN2
SCHEMBL6715048 0.80 PGR (0.41) PGRNR3C1ARESR2
SCHEMBL6714954 0.80 THRB (0.50) PGRNR3C1ARESR2PTPN2
SCHEMBL6717978 0.79 THRB (0.49) PGRNR3C1ARESR2PTPN2

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 PGR 3452/4885NR3C1 2751/4885AR 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.