SCHEMBL6718367

SCHEMBL6718367

O=S(=O)(Nc1ccc(C2=NCCc3cc(C(F)(F)F)ccc32)cc1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 3/20 0.43
PTPN2 P17706 3/20 0.42
PTPN1 P18031 3/20 0.42
PTPN5 P54829 3/20 0.42
HSPD1 P10809 2/20 0.42
HSPE1 P61604 2/20 0.42
AVPR2 P30518 2/20 0.42
GPR27 Q9NS67 2/20 0.42
KDM1A O60341 1/20 0.41
MAPT P10636 3/20 0.41
KIT P10721 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL6720452 0.90 RORA (0.47) CA1CA2CA7CA9CA14
SCHEMBL6724641 0.89 ERAP1 (0.48) FFAR1FFAR4LMNAPTPN2PTPN1
SCHEMBL6723032 0.87 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL6724761 0.87 LMNA (0.44) CA1CA2CA7CA9CA14
SCHEMBL6720526 0.87 THRB (0.52) LMNAPTPN2PTPN1PTPN5HSPD1
SCHEMBL6724563 0.85 PLAU (0.48) CA1CA2CA7CA9CA14
SCHEMBL6724899 0.83 SGK1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL6718018 0.81 CA1 (0.40) CA1CA2CA7CA9CA14
SCHEMBL6715103 0.81 CA1 (0.38) CA1CA2CA7CA9CA14
SCHEMBL6718466 0.81 PTPN2 (0.42) CA1CA2CA7CA9CA14

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 CA1 3607/4885CA2 841/4885CA7 299/4885

“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.