SCHEMBL3012963

SCHEMBL3012963

CC1(C)CC(=O)c2cc(-c3cccc(C(=O)O)n3)ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 4/20 0.60
MAPT P10636 1/20 0.52
KDM4E B2RXH2 12/20 0.49
ALDH1A1 P00352 12/20 0.49
GAA P10253 9/20 0.49
HPGD P15428 7/20 0.49
GLA P06280 6/20 0.49
CASP1 P29466 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CASP7 P55210 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ERN1 O75460 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL6559565 0.77 MAPT (0.61) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL13881906 0.76 BCL2L1 (1.00) BCL2L1
SCHEMBL3353464 0.73 MAPT (0.68) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL27812057 0.72 ERN1 (0.41) BCL2L1ERN1
SCHEMBL3012933 0.71 BCL2L1 (0.56) BCL2L1KDM4EERN1
SCHEMBL6559273 0.71 MAPT (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1146916 0.70 MAPT (1.00) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3651029 0.69 BCL2L1 (0.58) BCL2L1KDM4EERN1
SCHEMBL4010306 0.69 MAPT (0.66) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL13481991 0.69 MAPT (0.66) MAPTKDM4EALDH1A1GAAHPGD

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
CN-101842362-A Benzothiazole compounds INST MEDICAL W & E HALL 2010-09-22 CN disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
US-20100197711-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2010-08-05 US disclosed
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 WO disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 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-20100197711-A1 BENZOTHIAZOLE COMPOUNDS BAD, BCL2, BAX BCL2L1 4/4885MAPT 1423/4885KDM4E 1470/4885

“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.