SCHEMBL3112274

SCHEMBL3112274

CCCCS(=O)(=O)C([O])CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 2/20 0.34

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
SCHEMBL3110615 0.85 CA2 (0.32) CA2FAAHCA12CA1CA7
SCHEMBL3120737 0.83 CA2 (0.42) CA2TP53NPC1S1PR2S1PR4
SCHEMBL3114785 0.79 CA1 (0.34) CA2TP53NPSR1CA12CA1
SCHEMBL8684782 0.76 CA2 (0.45) CA2TP53NPC1S1PR2S1PR4
SCHEMBL3105085 0.75 CA2 (0.48) CA2TP53NPC1S1PR2S1PR4
SCHEMBL4640800 0.74 TP53 (0.41) CA2TP53NPC1S1PR2S1PR4
SCHEMBL27845303 0.74 CA2 (0.39) CA2TP53NPC1S1PR2S1PR4
SCHEMBL2305626 0.72 CA2 (0.50) CA2TP53NPC1S1PR2S1PR4
SCHEMBL2022447 0.71 CA2 (0.37) CA2TP53NPC1S1PR2S1PR4
SCHEMBL6227507 0.70 CA2 (0.52) CA2TP53NPC1S1PR2S1PR4

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-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP 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 (2 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 CA2 571/4885TP53 4755/4885NPC1 298/4885
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS GPR119, GLP1R, INSR CA2 693/4885TP53 1753/4885NPC1 2598/4885

“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.