SCHEMBL6716663

SCHEMBL6716663

CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C3=NCCc4cc(C(F)(F)F)ccc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK7 P50613 1/20 0.47
CCNH P51946 1/20 0.47
CCNA1 P78396 1/20 0.47
UQCRB P14927 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
IKBKB O14920 1/20 0.45
SYK P43405 1/20 0.45
PKM P14618 2/20 0.44

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
SCHEMBL6720453 0.93 FFAR4 (0.58) ERAP1FFAR1FFAR4CDK1CCNB1
SCHEMBL6724641 0.91 ERAP1 (0.48) ERAP1FFAR1FFAR4CDK1CCNB1
SCHEMBL6720565 0.91 UQCRB (0.47) ERAP1UQCRBALDH1A1CA1CA2
SCHEMBL6720500 0.89 TSHR (0.50) ERAP1FFAR1FFAR4CDK1CCNB1
SCHEMBL6720452 0.89 RORA (0.47) FFAR1FFAR4UQCRBALDH1A1CA1
SCHEMBL6720458 0.89 UQCRB (0.47) UQCRBALDH1A1CA1CA2IKBKB
SCHEMBL6714905 0.88 UQCRB (0.51) ERAP1UQCRBALDH1A1CA1CA2
SCHEMBL6718246 0.88 ERAP1 (0.46) ERAP1FFAR1FFAR4CDK1CCNB1
SCHEMBL6714813 0.88 ERAP1 (0.46) ERAP1FFAR1FFAR4CDK1CCNB1
SCHEMBL6715167 0.88 PKM (0.46) ERAP1FFAR1FFAR4CDK1CCNB1

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 ERAP1 2335/4885FFAR1 2368/4885FFAR4 3174/4885

“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.