SCHEMBL4604794

SCHEMBL4604794

CC(C)(C)c1ccc(COc2c(-c3ccccc3C=O)sc3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SENP5 Q96HI0 7/20 0.35
SENP2 Q9HC62 7/20 0.35
SENP1 Q9P0U3 7/20 0.35
NR4A2 P43354 2/20 0.34
APP P05067 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A3 Q92570 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 2/20 0.33
MDM2 Q00987 1/20 0.33
SCN9A Q15858 1/20 0.33
TSHR P16473 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL4606572 0.88 SENP5 (0.42) L3MBTL1SENP5SENP2SENP1USP2
SCHEMBL4604543 0.87 SENP2 (0.40) RAB9AL3MBTL1SENP5SENP2SENP1
SCHEMBL4604071 0.76 PDE4A (0.40) L3MBTL1
SCHEMBL4606119 0.76 HPGD (0.35)
SCHEMBL4605508 0.74 ALOX5AP (0.36) RAB9AL3MBTL1SENP5SENP2SENP1
SCHEMBL4604459 0.74 SMN1; SMN2 (0.43) RAB9AL3MBTL1TSHR
SCHEMBL4605363 0.73 TDP1 (0.46) RAB9AL3MBTL1TSHRERN1
SCHEMBL8684017 0.72 ALDH1A1 (0.54) RAB9AL3MBTL1NR4A2APPRXRA
SCHEMBL4827473 0.72 NPC1 (0.33) RAB9A
SCHEMBL4606717 0.71 ALDH1A1 (0.39) RAB9AL3MBTL1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US claimed
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R RAB9A 4246/4885L3MBTL1 655/4885SENP5 3478/4885

“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.