SCHEMBL6718552

SCHEMBL6718552

O=S(=O)(Nc1cccc(C2=NCCc3ccc(Cl)cc32)c1)c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.48
GSPT1 P15170 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
ALPL P05186 8/20 0.44
IDH1 O75874 1/20 0.43
MAPK10 P53779 3/20 0.42
PRF1 P14222 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL7067036 0.91 HSD17B1 (0.46) SLC22A12GSPT1DDB1CRBNHSD17B1
SCHEMBL7058928 0.90 SLC22A12 (0.49) SLC22A12GSPT1DDB1CRBNHSD17B1
SCHEMBL6716694 0.86 SLC22A12 (0.47) SLC22A12GSPT1DDB1CRBNHSD17B1
SCHEMBL6716766 0.85 FBP1 (0.44) DDB1CRBNMAPK10
SCHEMBL6718361 0.84 SLC22A12 (0.46) SLC22A12GSPT1DDB1CRBNHSD17B1
SCHEMBL6718250 0.84 ALPL (0.47) SLC22A12GSPT1DDB1CRBNHSD17B1
SCHEMBL6720387 0.82 PFKFB3 (0.52) MAPK10MAPK9MAPK14
SCHEMBL6717790 0.81 CDK1 (0.47) IDH1MAPK10MAPK9MAPK14
SCHEMBL6715085 0.81 SLC22A12 (0.48) SLC22A12GSPT1DDB1CRBNALPL
SCHEMBL6716714 0.81 GSPT1 (0.45) GSPT1DDB1CRBNMAPK10MAPK9

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 3059/4885GSPT1 1717/4885DDB1 1589/4885

“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.