SCHEMBL8039425

SCHEMBL8039425

C=CCC(COCCCC)CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 3/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
ATM Q13315 2/20 0.35
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
FAAH O00519 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL15242342 0.83 MMP9 (0.36) PLA2G2CMMP9MMP8MMP14POLB
SCHEMBL8029912 0.81 PLA2G2C (0.35) PLA2G2CALDH1A1MMP9MMP8MMP14
SCHEMBL14638762 0.79 CA1 (0.45) PLA2G2CALDH1A1MMP9MMP8MMP14
SCHEMBL13419618 0.72 PRKD3 (0.46) PLA2G2CALDH1A1LMNATSHR
SCHEMBL9673764 0.72 USP2 (0.54) PLA2G2CLMNAMAPT
SCHEMBL9674744 0.72 USP2 (0.54) PLA2G2CLMNAMAPT
SCHEMBL9496605 0.72 USP2 (0.54) PLA2G2CLMNAMAPT
SCHEMBL9674613 0.72 USP2 (0.54) PLA2G2CLMNAMAPT
SCHEMBL13841203 0.71 USP2 (0.52) PLA2G2CALDH1A1TSHRHPGDATM
SCHEMBL7928161 0.71 USP2 (0.52) PLA2G2CALDH1A1TSHRHPGDATM

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-20170015704-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2017-01-19 US disclosed
US-9492496-B2 Aminothiazoles and their uses NOVARTIS AG (CH) 2016-11-15 US disclosed
US-20140274878-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20130231275-A1 AMINIOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2013-09-05 US disclosed
WO-2009074605-A1 AMINOTHIAZOLES AND THEIR USES NOVARTIS AG (CH) 2009-06-18 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 (3 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-20130231275-A1 AMINIOTHIAZOLES AND THEIR USES ABAT, AADAT, AADAC PLA2G2C 3779/4885ALDH1A1 210/4885LMNA 2481/4885
US-20170015704-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 PLA2G2C 3161/4885ALDH1A1 438/4885LMNA 4122/4885
US-20140274878-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 PLA2G2C 3161/4885ALDH1A1 438/4885LMNA 4122/4885

“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.