SCHEMBL15470640

SCHEMBL15470640

CC(C)(O)Cn1ccc(C(C)(C)C)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LIPC P11150 3/20 0.35
LIPG Q9Y5X9 3/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ACHE P22303 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
SCHEMBL15473396 0.81 DRD2 (0.36) LIPCLIPGCYP2C19ALDH1A1DRD2
SCHEMBL115654 0.79 CYP2C19 (0.35) LIPCLIPGCYP2C19GAA
SCHEMBL18798716 0.78 NPC1 (0.33) NPC1RAB9AMITFLMNATP53
SCHEMBL15470656 0.74 LMNA (0.37) LIPCLIPGALDH1A1NPC1RAB9A
SCHEMBL17083424 0.73 SMN1; SMN2 (0.47) ALDH1A1NPC1RAB9AMITFLMNA
SCHEMBL24625580 0.73 GRIN2B (0.34) HDAC4HDAC2HDAC8ALDH1A1NPC1
SCHEMBL15470653 0.73 NPC1 (0.45) CYP2C19NPC1RAB9AMITFLMNA
SCHEMBL9300619 0.72 NPC1 (0.37) HDAC4HDAC2HDAC8ALDH1A1NPC1
SCHEMBL25997014 0.71 KCNH2 (0.41) CYP2C19ALDH1A1NPC1RAB9AMITF
SCHEMBL20272753 0.71 KCNJ6 (0.45) HDAC8ALDH1A1RAB9AHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987314-B2 Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-02-13 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-20140045811-A1 AMIDE, UREA OR SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, CEL HDAC4 309/4885HDAC2 340/4885HDAC8 482/4885

“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.