SCHEMBL1608951

SCHEMBL1608951

O=C(O)c1sc2cc(O)c(O)cc2c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.69
MCL1 Q07820 5/20 0.63
BCL2L1 Q07817 2/20 0.63
RXFP1 Q9HBX9 3/20 0.62
BCKDK O14874 2/20 0.62
MAPK1 P28482 2/20 0.45
STING1 Q86WV6 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PRNP P04156 1/20 0.43
TSHR P16473 1/20 0.43
PPARG P37231 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA2 Q15596 1/20 0.43
TBXAS1 P24557 1/20 0.43
RPA1 P27694 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 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
SCHEMBL13662602 0.85 GPR35 (0.54) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL1608352 0.84 STING1 (0.57) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL13659636 0.82 GPR35 (0.51) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL14703004 0.81 GPR35 (1.00) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL417349 0.77 MCL1 (1.00) MCL1BCL2L1RXFP1BCKDKNPSR1
SCHEMBL5224932 0.77 STING1 (0.69) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL6886010 0.76 MCL1 (1.00) MCL1BCL2L1RXFP1BCKDKMAPK1
Hydrochloric Acid SCHEMBL11398368 0.76 MCL1 (0.97) MCL1BCL2L1RXFP1BCKDKNPSR1
SCHEMBL6840188 0.76 MCL1 (0.60) GPR35MCL1BCL2L1RXFP1BCKDK
SCHEMBL6840187 0.76 MCL1 (0.60) GPR35MCL1BCL2L1RXFP1BCKDK

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 7 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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329765-B2 Benzothiophene compounds having antiinfective activity GENESOFT PHARMACEUTICALS, INC. (US) 2008-02-12 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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B GPR35 2843/4885MCL1 951/4885BCL2L1 142/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 GPR35 889/4885MCL1 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.