SCHEMBL14429385

SCHEMBL14429385

COc1ccccc1[C@H](C)NC1=NC(=O)C(C(C)C)S1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
IDH1 O75874 2/20 0.40
LMNA P02545 2/20 0.35
LPAR1 Q92633 2/20 0.34
SOS1 Q07889 4/20 0.34
KRAS P01116 2/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14429455 0.83 HTT (0.38)
SCHEMBL1605184 0.83 MAPKAPK2 (0.44) IDH1
SCHEMBL1605772 0.83 MAPKAPK2 (0.44) IDH1
SCHEMBL1606506 0.82 MAPT (0.45) LMNAKMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL5464521 0.80 IDH1 (0.42) IDH1SOS1KRASKMT2AHPGD
SCHEMBL1606527 0.80 IDH1 (0.42) IDH1SOS1KRASKMT2AHPGD
SCHEMBL1606605 0.80 IDH1 (0.42) IDH1SOS1KRASKMT2AHPGD
SCHEMBL1605418 0.80 TAAR1 (0.46) IDH1LMNAKMT2AROCK2ROCK1
SCHEMBL1605556 0.80 TAAR1 (0.46) IDH1LMNAKMT2AROCK2ROCK1
SCHEMBL1606754 0.76 P2RX7 (0.39) LMNAROCK2L3MBTL1HPGDSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 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 (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-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 CA1 1467/4885CA2 2488/4885ACHE 2363/4885

“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.