SCHEMBL4885665

SCHEMBL4885665

Cn1c(C=O)ccc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
PTGS1 P23219 3/20 0.47
AKR1B1 P15121 2/20 0.47
CXCL8 P10145 1/20 0.47
GLO1 Q04760 1/20 0.47
TBXAS1 P24557 3/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.38
ABCB11 O95342 1/20 0.37
ATM Q13315 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
EGFR P00533 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL68487 0.82 PTGS2 (0.58) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL11295545 0.75 PTGS2 (0.56) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL2237110 0.72 PTGS2 (0.61) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL3494614 0.71 HDAC10 (0.40) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL11364366 0.69 PTGS1 (0.46) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL2578761 0.69 HIF1A (0.44) PTGS2PTGS1TBXAS1ALDH1A1HSD17B10
SCHEMBL23881352 0.68 TBXAS1 (0.48) AKR1B1TBXAS1ALDH1A1KDM4EATM
SCHEMBL31445978 0.68 PTGS2 (0.46) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL11380056 0.68 PTGS1 (0.45) PTGS2PTGS1AKR1B1CXCL8GLO1
SCHEMBL2235453 0.68 PTGS2 (0.56) PTGS2PTGS1AKR1B1CXCL8GLO1

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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA PTGS2 3575/4885PTGS1 2306/4885AKR1B1 1664/4885

“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.