SCHEMBL13650830

SCHEMBL13650830

CC(C)(C)c1ccc(NC(=O)CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.58
EPHX2 P34913 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
KIF11 P52732 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
TRPV1 Q8NER1 2/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51

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
SCHEMBL13778191 0.86 CYP1A1 (0.64) NR1H4EPHX2MEN1MAPTKMT2A
SCHEMBL9429422 0.85 MAPT (0.59) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12233865 0.83 MAPT (0.58) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL13778193 0.83 GFER (0.65) NR1H4EPHX2MEN1MAPTKMT2A
SCHEMBL23973037 0.82 NPC1 (0.54) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL486751 0.82 CA1 (0.58) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL7098017 0.81 NPC1 (0.58) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL6857771 0.81 SMN1; SMN2 (0.59) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL19240371 0.81 KIF11 (0.59) NR1H4EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3043118 0.81 NPC1 (0.54) NR1H4EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 NR1H4 3404/4885EPHX2 1466/4885NPC1 2917/4885

“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.