SCHEMBL1609693

SCHEMBL1609693

COc1cc(SSc2cc(OC)c(OC)cc2C(=O)O)c(C(=O)O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.63
▸ FYN P06241 1/20 0.63
▸ MYC P01106 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TPMT P51580 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45

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
SCHEMBL30415497 0.83 LCK (0.72) LCKFYNMYCKDM4EALDH1A1
SCHEMBL1417516 0.83 LCK (0.72) LCKFYNMYCKDM4EALDH1A1
SCHEMBL11272193 0.82 LCK (0.47) LCKFYNMYCKDM4EALDH1A1
SCHEMBL9023860 0.80 LCK (0.54) LCKFYNMYCKDM4EALDH1A1
SCHEMBL21624243 0.79 LCK (0.53) LCKFYNMYCKDM4EALDH1A1
SCHEMBL29765241 0.79 LCK (0.73) LCKFYNMYCKDM4EALDH1A1
SCHEMBL347214 0.79 LCK (0.73) LCKFYNMYCKDM4EALDH1A1
SCHEMBL2830233 0.78 LCK (0.72) LCKFYNMYCKDM4EALDH1A1
SCHEMBL21624277 0.78 LCK (0.51) LCKFYNMYCKDM4EALDH1A1
SCHEMBL307832 0.78 LCK (1.00) LCKFYNMYCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 — — US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 — — US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 — — EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 — — US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 — — EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 — — 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 (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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 LCK 3842/4885FYN 1616/4885MYC 3670/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 LCK 3104/4885FYN 1022/4885MYC 4408/4885

“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.

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