SCHEMBL15928461

SCHEMBL15928461

Cc1ccc(S(=O)(=O)OCCCCCCOc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
HRH4 Q9H3N8 1/20 0.53
GAA P10253 2/20 0.51
LSS P48449 2/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.47
LTA4H P09960 1/20 0.47
PPARG P37231 2/20 0.46
KCNA5 P22460 1/20 0.46
PPARD Q03181 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45
STAT3 P40763 1/20 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
SCHEMBL29084470 0.89 TP53 (0.57) STAT3
SCHEMBL5486396 0.89 TP53 (0.57) STAT3
SCHEMBL11106363 0.85 STAT3 (0.57) ALDH1A1L3MBTL1MAPK1CA12CA1
SCHEMBL29768597 0.84 PSMD10 (0.58) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL1109820 0.83 DRD2 (0.50) L3MBTL1CA12CA1CA9
SCHEMBL19221716 0.82 GAA (0.48) PPARAHRH4GAAKDM4EALDH1A1
SCHEMBL11111198 0.81 STAT3 (0.59) ALDH1A1L3MBTL1MAPK1CA12CA1
SCHEMBL29768658 0.80 PSMD10 (0.59) KDM4EALDH1A1LMNAL3MBTL1MAPT
SCHEMBL14366326 0.80 GAA (0.63) PPARAHRH4GAAALDH1A1LMNA
SCHEMBL2127003 0.80 PPARA (0.81) PPARAHRH4GAALSSKDM4E

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
US-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF UNIV JOHNS HOPKINS (US) 2016-09-15 US disclosed
US-9346791-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-05-24 US disclosed
US-20140221393-A1 Itraconazole Analogs and Use Thereof THE JOHNS HOPKINS UNIVERSITY 2014-08-07 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 (2 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-20160264556-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR PPARA 2428/4885HRH4 1525/4885GAA 1408/4885
US-20140221393-A1 Itraconazole Analogs and Use Thereof SHH, GLI1, KDR PPARA 2428/4885HRH4 1525/4885GAA 1408/4885

“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.