SCHEMBL5434896

SCHEMBL5434896

CC1CCC(C(=O)N(c2sc(-c3ccccc3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
PTPN5 P54829 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
ABCC1 P33527 1/20 0.37
ADORA1 P30542 1/20 0.36
ERO1A Q96HE7 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL5434891 1.00 RAB9A (0.42) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505614 0.91 RAB9A (0.40) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505597 0.90 CHEK1 (0.35) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL5429548 0.90 NPC1 (0.35) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL5429551 0.90 NPC1 (0.35) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505594 0.90 ACMSD (0.38) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505571 0.90 NPSR1 (0.43) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505598 0.90 SMN1; SMN2 (0.38) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL14505593 0.89 XDH (0.39) RAB9ANPSR1NPC1MAPTPTPN5
SCHEMBL14505596 0.89 ALDH1A1 (0.38) RAB9ANPC1MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP RAB9A 3651/4885NPSR1 2572/4885NPC1 344/4885

“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.