SCHEMBL5211610

SCHEMBL5211610

COc1cc2sc(C(=O)O)c(OCc3ccc(C4CCCCC4)cc3)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ EDNRA P25101 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CSF1R P07333 4/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MCHR1 Q99705 4/20 0.39
▸ STING1 Q86WV6 1/20 0.39
▸ SENP5 Q96HI0 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ SENP1 Q9P0U3 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ APP P05067 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL9371330 0.83 EDNRA (0.56) EDNRASTING1SENP5SENP2SENP1
SCHEMBL5215575 0.81 EDNRA (0.49) EDNRASTING1SENP5SENP2SENP1
SCHEMBL5215223 0.81 RXRB (0.46) EDNRASTING1SENP5SENP2SENP1
SCHEMBL5218798 0.80 RAB9A (0.56) EDNRASTING1SENP5SENP2SENP1
SCHEMBL5215204 0.80 KDM4E (0.48) EDNRASTING1SENP5SENP2SENP1
SCHEMBL6021540 0.80 STING1 (0.46) DYRK1ASTING1PDE10AKDM4EALDH1A1
SCHEMBL6021255 0.80 STING1 (0.46) DYRK1ASTING1PDE10AKDM4EALDH1A1
SCHEMBL5215262 0.79 SLC2A1 (0.45) EDNRAPPARDDYRK1ASENP5SENP2
SCHEMBL5212597 0.79 NMT1 (0.47) EDNRASENP5SENP2SENP1KDM4E
SCHEMBL6020839 0.79 STING1 (0.47) DYRK1ASTING1PDE10AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 — — EP disclosed
EP-1636213-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY Warner-Lambert Company LLC (US) 2006-03-22 — — EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 — — US disclosed
WO-2004108715-A1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 — — 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 (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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 HRH3 2096/4885EDNRA 1664/4885PPARG 340/4885

“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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