SCHEMBL6716716

SCHEMBL6716716

CCCCOc1ccc(S(=O)(=O)Nc2ccc(C3=NCCc4ccc(F)cc43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CACNA1B Q00975 3/20 0.49
CACNA1H O95180 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.47
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
HTT P42858 1/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6717866 0.93 CA1 (0.59) CA1CA2CA7CA9CA14
SCHEMBL6716436 0.85 ALDH1A1 (0.48) SMN1; SMN2LMNAMAPTMAPK1NPC1
SCHEMBL6714852 0.84 TP53 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6718466 0.83 PTPN2 (0.42) CA1CA2CA7CA9CA14
SCHEMBL6716761 0.82 MOGAT2 (0.48) CA1CA2SMN1; SMN2LMNAMAPT
SCHEMBL6718177 0.81 ALOX15 (0.51) CA1CA2CA7CA9CA14
SCHEMBL6718307 0.81 LMNA (0.45) CA1CA2CA7CA9CA14
SCHEMBL6718824 0.80 ATM (0.47) SMN1; SMN2LMNAMAPTCYP1A2CYP3A4
SCHEMBL7213740 0.78 UCHL1 (0.53) CA1CA2CA7CA9CA14
SCHEMBL6714796 0.77 SMN1; SMN2 (0.53) CA1CA2CA7CA9CA14

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 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.