SCHEMBL6720458

SCHEMBL6720458

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UQCRB P14927 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CCR9 P51686 5/20 0.46
IKBKB O14920 1/20 0.45
CYP19A1 P11511 1/20 0.44
HSD17B2 P37059 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPK10 P53779 3/20 0.43
MAPK9 P45984 1/20 0.43
MAPK14 Q16539 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
FBP1 P09467 1/20 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
SCHEMBL6714772 0.93 CCR9 (0.48) UQCRBALDH1A1CA1CA2CCR9
SCHEMBL6724570 0.89 LMNA (0.46) ALDH1A1CYP19A1SMN1; SMN2LMNAMAPK10
SCHEMBL6718237 0.89 CCR9 (0.48) UQCRBALDH1A1CA1CA2CCR9
SCHEMBL6720565 0.89 UQCRB (0.47) UQCRBALDH1A1CA1CA2IKBKB
SCHEMBL6716663 0.89 ERAP1 (0.48) UQCRBALDH1A1CA1CA2IKBKB
SCHEMBL6714905 0.88 UQCRB (0.51) UQCRBALDH1A1CA1CA2IKBKB
SCHEMBL6718000 0.87 CYP19A1 (0.46) ALDH1A1CA1CA2CCR9CYP19A1
SCHEMBL6715129 0.85 KDM1A (0.46) CA1CA2CYP19A1HSD17B2MAPK10
SCHEMBL6779986 0.85 CYP19A1 (0.43) ALDH1A1CA1CA2CYP19A1SMN1; SMN2
SCHEMBL7215335 0.84 FBP1 (0.44) CA1CA2CCR9CYP19A1MAPK10

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 UQCRB 186/4885ALDH1A1 213/4885CA1 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.