SCHEMBL3014492

SCHEMBL3014492

CC(=O)c1cccc(-c2ccc(C(=O)O)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.65
RAB9A P51151 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
HDAC6 Q9UBN7 3/20 0.61
HDAC1 Q13547 2/20 0.61
ESR1 P03372 1/20 0.54
ESRRG P62508 1/20 0.54
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
CNR1 P21554 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NQO2 P16083 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL2560736 0.88 HDAC6 (0.69) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL3636086 0.84 HPGDS (0.65) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL4147834 0.84 RAB9A (0.66) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL1761545 0.81 RAB9A (0.92) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL5842337 0.81 HPGDS (0.69) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL10154904 0.81 CNR1 (0.53) HDAC6HDAC1MKNK2HSD17B1HSD17B2
SCHEMBL6260315 0.80 RAB9A (0.83) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL22834329 0.79 CNR1 (0.51) HDAC6HDAC1MKNK2HSD17B1HSD17B2
SCHEMBL3639170 0.79 HPGDS (1.00) HPGDSRAB9AMEN1POLBKMT2A
SCHEMBL3097763 0.78 RAB9A (0.67) HPGDSRAB9AMEN1POLBKMT2A

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
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
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

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 HPGDS 1743/4885RAB9A 3879/4885MEN1 3073/4885

“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.