SCHEMBL15619574

SCHEMBL15619574

Cc1ccc2c(C)c(C(=O)O)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.71
BCL2L1 Q07817 1/20 0.71
GPR35 Q9HC97 2/20 0.62
TBXAS1 P24557 3/20 0.54
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
RXFP1 Q9HBX9 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
BCKDK O14874 2/20 0.47
PRNP P04156 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL2895952 0.86 GPR35 (0.62) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL10952974 0.83 TBXAS1 (0.60) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL2895958 0.83 GPR35 (0.58) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL4277521 0.83 MCL1 (0.67) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL7728937 0.83 MCL1 (0.67) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL12153769 0.83 MCL1 (0.71) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL2895162 0.83 BCKDK (0.67) MCL1BCL2L1GPR35TBXAS1RAB9A
SCHEMBL417349 0.83 MCL1 (1.00) MCL1BCL2L1TBXAS1NPC1RAB9A
SCHEMBL31207832 0.82 TBXAS1 (0.58) MCL1BCL2L1GPR35TBXAS1NPC1
SCHEMBL2896302 0.81 CES2 (0.63) MCL1BCL2L1GPR35TBXAS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-11-01 US disclosed
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-10-09 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 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 (4 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-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885BCL2L1 2/4885GPR35 2250/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885BCL2L1 2/4885GPR35 2250/4885
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885BCL2L1 2/4885GPR35 2250/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885BCL2L1 2/4885GPR35 2250/4885

“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.