SCHEMBL2238245

SCHEMBL2238245

CCOC(=O)c1cc2cc3sc(C(=O)OCC)cc3cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.60
STING1 Q86WV6 5/20 0.50
MAPT P10636 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL21415651 0.93 PTPN2 (0.55) PTPN2STING1MAPTGAAKDM4E
SCHEMBL12051135 0.89 PTPN2 (0.54) PTPN2STING1MAPTGAAKDM4E
SCHEMBL9612672 0.87 STING1 (0.67) PTPN2STING1MAPTGAAHDAC3
SCHEMBL8250276 0.85 HDAC1 (0.60) PTPN2STING1MAPTGAAKDM4E
SCHEMBL1205380 0.85 PTPN2 (0.51) PTPN2MAPTGAAKDM4ETDP1
SCHEMBL14445046 0.85 HDAC3 (0.66) PTPN2STING1MAPTGAAHDAC3
SCHEMBL1390384 0.84 HSD17B1 (0.51) PTPN2MAPTGAAKDM4ETDP1
SCHEMBL155423 0.84 PTPN2 (0.50) PTPN2STING1MAPTGAAKDM4E
SCHEMBL21417393 0.84 PTPN2 (0.50) PTPN2STING1MAPTGAAKDM4E
SCHEMBL1390519 0.84 DYRK1A (0.62) PTPN2MAPTGAAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536700-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2019-10-02 EP disclosed
EP-2536700-B1 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2019-10-02 EP disclosed
US-10155774-B2 Semiconducting polymers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-12-18 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-9365585-B2 Semiconducting polymers MERCK PATENT GMBH (DE) 2016-06-14 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
US-20150353575-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-12-10 US disclosed
EP-2631230-B1 Semiconducting Polymers MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2631230-B1 Semiconducting Polymers MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
EP-2631230-A1 Semiconducting Polymers Merck Patent GmbH (DE) 2013-08-28 EP disclosed
EP-2631230-A1 Semiconducting Polymers Merck Patent GmbH (DE) 2013-08-28 EP disclosed
EP-2536700-A2 SEMICONDUCTING POLYMERS Merck Patent GmbH (DE) 2012-12-26 EP disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120305853-A1 SEMICONDUCTING POLYMERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2011098113-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2011098113-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2011-08-18 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 (3 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-10155774-B2 Semiconducting polymers PPOX, OCIAD2, OCIAD1 PTPN2 792/4885STING1 4406/4885MAPT 63/4885
US-20120305853-A1 SEMICONDUCTING POLYMERS PPOX, OCIAD2, OCIAD1 PTPN2 792/4885STING1 4406/4885MAPT 63/4885
US-20150353575-A1 SEMICONDUCTING POLYMERS PPOX, OCIAD2, OCIAD1 PTPN2 792/4885STING1 4406/4885MAPT 63/4885

“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.