SCHEMBL6716725

SCHEMBL6716725

CCCCOc1ccc(S(=O)(=O)Nc2cccc(C3=NCCc4cc(C(F)(F)F)ccc43)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
MAPT P10636 4/20 0.47
CACNA1B Q00975 4/20 0.45
CACNA1H O95180 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL6718083 0.87 CA1 (0.52) CA1CA2CA7CA9CA14
SCHEMBL6714813 0.87 ERAP1 (0.46) CA1CA2CA7CA9CA14
SCHEMBL6716663 0.86 ERAP1 (0.48) CA1CA2MAPTHTTSMN1; SMN2
SCHEMBL6720453 0.86 FFAR4 (0.58) MAPTHTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL6724641 0.84 ERAP1 (0.48) MAPTHTTSMN1; SMN2TSHRLMNA
SCHEMBL6718246 0.84 ERAP1 (0.46) MAPTHTTSMN1; SMN2TSHRLMNA
SCHEMBL6720500 0.83 TSHR (0.50) CA1CA2MAPTTSHRLMNA
SCHEMBL6725400 0.83 SYK (0.48) MAPTHTTSMN1; SMN2LMNAKMT2A
SCHEMBL6718177 0.82 ALOX15 (0.51) CA1CA2CA7CA9CA14
SCHEMBL6715167 0.82 PKM (0.46) MAPTHTTSMN1; SMN2TSHRLMNA

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 CA1 3607/4885CA2 841/4885CA7 299/4885

“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.