SCHEMBL1609241

SCHEMBL1609241

COC(=O)c1sc2cc(OCc3ccccc3)c(OC)cc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.54
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
DYRK1A Q13627 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
SRD5A1 P18405 2/20 0.45
SRD5A2 P31213 2/20 0.45
EGFR P00533 3/20 0.45
SERPINE1 P05121 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL1608173 1.00 STING1 (0.54) STING1SMPD1HDAC1HDAC8HDAC6
SCHEMBL9377315 0.90 STING1 (0.55) STING1SMPD1HDAC1HDAC8HDAC6
SCHEMBL1609028 0.84 STING1 (0.63) STING1MAPTLMNAGAADYRK1A
SCHEMBL15465845 0.81 EDNRA (0.59) MAPTLMNAGAADYRK1ANPC1
SCHEMBL31564631 0.81 PLK1 (0.49) STING1SMPD1HDAC1HDAC8HDAC6
SCHEMBL15471999 0.79 MAPT (0.46) MAPTLMNAGAANPC1HPGD
SCHEMBL9371330 0.79 EDNRA (0.56) STING1SMPD1HDAC1HDAC8HDAC6
SCHEMBL5210914 0.77 NOX1 (0.44) STING1MAPTLMNAGAANPC1
SCHEMBL9371071 0.77 EDNRA (0.69) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL29071004 0.77 STING1 (0.57) STING1SMPD1HDAC1HDAC8HDAC6

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 STING1 4828/4885SMPD1 452/4885HDAC1 918/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 STING1 4840/4885SMPD1 1021/4885HDAC1 1474/4885

“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.