SCHEMBL12376591

SCHEMBL12376591

CC(C)(C)c1ccc(C(=O)NC[C@@H](O)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 1/20 0.51
NR1H4 Q96RI1 8/20 0.51
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL15317706 0.87 RAB9A (0.53) EPHX2RAB9ANPC1HPGDL3MBTL1
SCHEMBL13157814 0.83 LMNA (0.53) RAB9ANPC1HPGDL3MBTL1LMNA
SCHEMBL4979894 0.83 LMNA (0.53) RAB9ANPC1HPGDL3MBTL1LMNA
SCHEMBL12301897 0.83 LMNA (0.53) RAB9ANPC1HPGDL3MBTL1LMNA
SCHEMBL10606216 0.83 EPHX2 (0.65) EPHX2RAB9ANPC1HPGDL3MBTL1
SCHEMBL10203248 0.81 MLYCD (0.66) EPHX2RAB9ANPC1HPGDL3MBTL1
SCHEMBL14459751 0.81 PLK1 (0.54) NPC1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL24227433 0.80 PRMT5 (0.57) RAB9ANPC1HPGDL3MBTL1LMNA
SCHEMBL28463256 0.80 OGG1 (0.52) RAB9ANPC1HPGDNFKB1NFKB2
SCHEMBL9781002 0.80 PRMT5 (0.52) EPHX2RAB9ANPC1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC EPHX2 2830/4885RAB9A 2056/4885NPC1 1260/4885

“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.