SCHEMBL6724633

SCHEMBL6724633

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C3=NCCc4cc(F)ccc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MOGAT2 Q3SYC2 5/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
UQCRB P14927 1/20 0.46
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
RORA P35398 1/20 0.45
NR3C1 P04150 1/20 0.45
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 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
SCHEMBL6716761 0.92 MOGAT2 (0.48) ALDH1A1MOGAT2CA1CA2MEN1
SCHEMBL6720452 0.90 RORA (0.47) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6720565 0.89 UQCRB (0.47) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6718222 0.89 CA1 (0.47) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6718237 0.88 CCR9 (0.48) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL7213740 0.86 UCHL1 (0.53) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6720569 0.85 ALDH1A1 (0.49) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6718644 0.85 LMNA (0.47) ALDH1A1CA1CA2MEN1MAPT
SCHEMBL6715039 0.84 CA1 (0.48) CA1CA2MAPTCA7CA9
SCHEMBL6716575 0.83 CCR9 (0.49) ALDH1A1CA1CA2MEN1MAPT

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 ALDH1A1 213/4885MOGAT2 1492/4885CA1 3607/4885

“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.