SCHEMBL6724563

SCHEMBL6724563

O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.48
PLAT P00750 1/20 0.48
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 2/20 0.44
PTPN2 P17706 3/20 0.43
PTPN1 P18031 3/20 0.43
PTPN5 P54829 3/20 0.43
PGR P06401 2/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
HSPD1 P10809 2/20 0.43
HSPE1 P61604 2/20 0.43
HTR6 P50406 2/20 0.42
NR3C1 P04150 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
SCHEMBL6725400 0.91 SYK (0.48) PLAUPLATALDH1A1MAPTKDM4E
SCHEMBL6720526 0.88 THRB (0.52) PLAUPLATMAPTPKMPTPN2
SCHEMBL6714859 0.87 ATM (0.47) PLAUATMALDH1A1MAPTPKM
SCHEMBL6724761 0.87 LMNA (0.44) ALDH1A1MAPTPTPN2PTPN1PTPN5
SCHEMBL6724614 0.86 ATM (0.52) PLAUATMALDH1A1MAPTPKM
SCHEMBL6718367 0.85 CA1 (0.44) MAPTPTPN2PTPN1PTPN5CA1
SCHEMBL6718056 0.85 ATM (0.47) PLAUATMALDH1A1MAPTPKM
SCHEMBL6720452 0.85 RORA (0.47) ALDH1A1MAPTPTPN2PTPN1PTPN5
SCHEMBL6723032 0.85 CA1 (0.48) MAPTPTPN2PTPN1PTPN5CA1
SCHEMBL6716620 0.82 NR3C1 (0.53) PLAUPLATMAPTPTPN2PTPN1

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 PLAU 2215/4885PLAT 1012/4885ATM 2507/4885

“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.