SCHEMBL6718596

SCHEMBL6718596

O=S(=O)(Nc1cccc(C2=NCCc3ccc(F)cc32)c1)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
BRD4 O60885 1/20 0.38
MAP2K7 O14733 2/20 0.36
MAP2K4 P45985 2/20 0.36
TP53 P04637 5/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
THRB P10828 2/20 0.36
PFKFB4 Q16877 1/20 0.36
MAPK10 P53779 1/20 0.36
PFKFB3 Q16875 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6718763 0.93 MAPT (0.39) MEN1KMT2ALMNAHTTMAP2K7
SCHEMBL6714932 0.90 GAB1 (0.42) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL6718603 0.84 LMNA (0.36) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL6718267 0.84 GAB1 (0.42) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL6718884 0.82 MAPT (0.38) MEN1KMT2ALMNAMAPTMAPK10
SCHEMBL6715044 0.80 PGR (0.42)
SCHEMBL6716742 0.79 PFKFB3 (0.48) MEN1KMT2ALMNAHTTMAPT
SCHEMBL6718368 0.78 LMNA (0.51) LMNATP53MAPTRAB9ATHRB
SCHEMBL6718324 0.78 TSHR (0.47) MEN1KMT2ALMNAMAP2K4MAPT
SCHEMBL6718112 0.78 MAPK10 (0.40) LMNAMAP2K7MAP2K4TP53MAPT

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 MEN1 4445/4885KMT2A 2851/4885LMNA 1790/4885

“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.