SCHEMBL9613232

SCHEMBL9613232

CC(C)c1ccc2c(Cl)c(C(=O)O)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.66
BCL2L1 Q07817 1/20 0.66
BCKDK O14874 2/20 0.65
RXFP1 Q9HBX9 2/20 0.65
MAPK1 P28482 2/20 0.47
PRNP P04156 1/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 1/20 0.47
HTT P42858 1/20 0.47
MAPK10 P53779 1/20 0.47
NCOA2 Q15596 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TBXAS1 P24557 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 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
SCHEMBL13881349 0.88 MCL1 (0.50) MCL1BCL2L1BCKDKRXFP1MAPK1
SCHEMBL417349 0.80 MCL1 (1.00) MCL1BCL2L1BCKDKRXFP1PPARG
SCHEMBL6886010 0.79 MCL1 (1.00) MCL1BCL2L1BCKDKRXFP1MAPK1
Hydrochloric Acid SCHEMBL11398368 0.78 MCL1 (0.97) MCL1BCL2L1BCKDKRXFP1PPARG
Hydrochloric Acid SCHEMBL11394582 0.78 MCL1 (0.97) MCL1BCL2L1BCKDKRXFP1MAPK1
SCHEMBL3067147 0.77 MCL1 (0.41) MCL1BCL2L1BCKDKRXFP1MAPK1
SCHEMBL5453267 0.77 RXFP1 (0.76) MCL1BCL2L1BCKDKRXFP1MAPK1
SCHEMBL18050231 0.76 MCL1 (0.71) MCL1BCL2L1BCKDKRXFP1MAPK1
SCHEMBL594468 0.76 BCKDK (1.00) MCL1BCL2L1BCKDKRXFP1TSHR
SCHEMBL13819863 0.76 MCL1 (0.70) MCL1BCL2L1BCKDKRXFP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 MCL1 3312/4885BCL2L1 4106/4885BCKDK 4409/4885

“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.