SCHEMBL1608352

SCHEMBL1608352

COc1cc2sc(C(=O)O)c(Cl)c2cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.57
MCL1 Q07820 4/20 0.54
BCL2L1 Q07817 1/20 0.54
BCKDK O14874 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
GPR35 Q9HC97 1/20 0.50
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
PRNP P04156 1/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA2 Q15596 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DYRK1A Q13627 2/20 0.40

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
SCHEMBL5224932 0.89 STING1 (0.69) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL1609893 0.87 STING1 (0.52) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5226003 0.85 MCL1 (0.57) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL1608951 0.84 GPR35 (0.69) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5229127 0.82 MCL1 (0.57) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL6025665 0.81 BCKDK (0.56) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5224814 0.77 STING1 (0.55) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL5453267 0.77 RXFP1 (0.76) MCL1BCL2L1BCKDKRXFP1HTT
SCHEMBL9023626 0.76 STING1 (0.54) STING1MCL1BCL2L1BCKDKRXFP1
SCHEMBL6021050 0.76 STING1 (0.54) STING1MCL1BCL2L1BCKDKRXFP1

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
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

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 4828/4885MCL1 3810/4885BCL2L1 4141/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 STING1 4840/4885MCL1 4587/4885BCL2L1 4512/4885

“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.