SCHEMBL6714952

SCHEMBL6714952

O=S(=O)(Nc1cccc(C2=NCCc3cc(C(F)(F)F)ccc32)c1)c1ccc(-c2ccon2)s1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 9/20 0.51
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PFKFB4 Q16877 5/20 0.40
F10 P00742 1/20 0.37
PRF1 P14222 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6717937 0.91 MEN1 (0.49) PFKFB3MAPTMEN1KMT2AF10
SCHEMBL7067510 0.90 PFKFB3 (0.52) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL6718575 0.89 PFKFB3 (0.52) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL6780301 0.88 PFKFB3 (0.55) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL6714757 0.84 PFKFB3 (0.52) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL7065243 0.79 LMNA (0.39) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL6714983 0.79 CDK1 (0.50) PFKFB3MEN1KMT2APFKFB4TP53
SCHEMBL6720500 0.79 TSHR (0.50) PFKFB3MAPTMEN1KMT2APRF1
SCHEMBL6724818 0.79 KMT2A (0.52) PFKFB3MAPTMEN1KMT2APFKFB4
SCHEMBL6716663 0.77 ERAP1 (0.48) MAPTMEN1KMT2ATP53LMNA

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 2 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

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 PFKFB3 2298/4885MAPT 4033/4885MEN1 4445/4885

“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.