SCHEMBL1553470

SCHEMBL1553470

CC(C)n1c(C(=O)O)cc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.46
CCR2 P41597 1/20 0.46
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MCL1 Q07820 2/20 0.43
GPR35 Q9HC97 4/20 0.42
F10 P00742 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASR P41180 1/20 0.39
LDHA P00338 1/20 0.39
SRD5A2 P31213 1/20 0.38
GAA P10253 1/20 0.37
DAO P14920 1/20 0.37
CYP2D6 P10635 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL22004131 0.83 CCR2 (0.51) CCR2
SCHEMBL23052955 0.83 CCR2 (0.47) CCR2DYRK1BKDM4EALDH1A1HPGD
SCHEMBL4543516 0.80 KDM4E (0.67) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5823619 0.80 MCL1 (0.62) CCR2ALDH1A1MCL1LDHAGAA
SCHEMBL2001537 0.78 HSD17B10 (0.68) ABCB11CCR2CLK1DYRK1ADYRK1B
SCHEMBL1552728 0.76 HRH3 (0.45) CLK1DYRK1ADYRK1BCASRCYP2D6
SCHEMBL1552604 0.76 SRD5A2 (0.72) KDM4EALDH1A1HPGDHSD17B10F10
SCHEMBL1553069 0.74 GPR35 (0.67) ABCB11CCR2CLK1DYRK1ADYRK1B
SCHEMBL20909821 0.73 MCL1 (0.53) CCR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5319595 0.71 PTGES (0.67) ABCB11CCR2KDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 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-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 ABCB11 742/4885CCR2 524/4885CLK1 4001/4885

“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.