SCHEMBL6715085

SCHEMBL6715085

O=S(=O)(Nc1ccc(C2=NCCc3ccccc32)cc1)c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.48
ALPL P05186 3/20 0.47
GSPT1 P15170 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
PRF1 P14222 1/20 0.44
GSK3B P49841 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
IDH1 O75874 1/20 0.40
ATM Q13315 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6718250 0.90 ALPL (0.47) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL7058928 0.89 SLC22A12 (0.49) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL6718338 0.89 GSPT1 (0.46) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL6716509 0.84 TP53 (0.49) DDB1CRBNGSK3BMAPT
SCHEMBL6718552 0.81 SLC22A12 (0.48) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL6716694 0.81 SLC22A12 (0.47) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL7067036 0.81 HSD17B1 (0.46) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL6718361 0.80 SLC22A12 (0.46) SLC22A12ALPLGSPT1DDB1CRBN
SCHEMBL6724974 0.78 ITGA1 (0.47) NPSR1BRD4FABP4FABP5
SCHEMBL6718780 0.78 SGK1 (0.47) IDH1CYP3A4

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 SLC22A12 3059/4885ALPL 1126/4885GSPT1 1717/4885

“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.