SCHEMBL6721155

SCHEMBL6721155

O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2=NCCc3ccc(Cl)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
TP53 P04637 2/20 0.47
FBP1 P09467 1/20 0.47
MAPT P10636 2/20 0.46
RORC P51449 1/20 0.45
CCR9 P51686 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KIF11 P52732 1/20 0.44
NPY5R Q15761 1/20 0.44
LMNA P02545 1/20 0.43
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
CASP3 P42574 1/20 0.43
GSK3B P49841 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
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
SCHEMBL6716624 1.00 PTGDR2 (0.49) PTGDR2TP53FBP1MAPTRORC
SCHEMBL6715054 0.93 CA1 (0.48) PTGDR2TP53FBP1MAPTRORC
SCHEMBL6716766 0.91 FBP1 (0.44) PTGDR2TP53FBP1CCR9FFAR4
SCHEMBL6714852 0.90 TP53 (0.47) TP53MAPTRORCFFAR4KIF11
SCHEMBL6718234 0.87 CCR9 (0.51) PTGDR2TP53FBP1MAPTRORC
SCHEMBL6716509 0.87 TP53 (0.49) TP53MAPTRORCFFAR4KIF11
SCHEMBL6718287 0.87 FFAR1 (0.47) TP53MAPTRORCFFAR4NPY5R
SCHEMBL6718878 0.86 CCR9 (0.47) PTGDR2FBP1CCR9LMNA
SCHEMBL6715039 0.85 CA1 (0.48) TP53MAPTRORCFFAR4NPY5R
SCHEMBL6714923 0.84 PGR (0.48) MAPTCCR9

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 PTGDR2 233/4885TP53 4504/4885FBP1 2455/4885

“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.