SCHEMBL8041329

SCHEMBL8041329

COC(=O)CCCC[C@]1(C(=O)OC)CC[C@@H](O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 4/20 0.31
PPM1D O15297 1/20 0.31
DGAT1 O75907 1/20 0.30
PRKCA P17252 2/20 0.30
PTGIR P43119 2/20 0.30
PTGER2 P43116 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL15227908 0.81 PPM1D (0.37) CYP4F2CYP4A11PPM1DDGAT1
SCHEMBL15115980 0.81 PPM1D (0.37) CYP4F2CYP4A11PPM1DDGAT1
SCHEMBL8031542 0.78 CYP4F2 (0.49) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL15237365 0.78 CYP4F2 (0.49) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL8042085 0.78 PPM1D (0.30) PPM1DDGAT1
SCHEMBL8045134 0.77 PPM1D (0.32) PPM1DDGAT1
SCHEMBL18208695 0.74 LMNA (0.35) ALDH1A1LMNAPPM1D
SCHEMBL22079855 0.74 PPM1D (0.34) PPM1D
SCHEMBL15111450 0.74 PPM1D (0.36) PPM1D
SCHEMBL15241935 0.74 PPM1D (0.36) PPM1D

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 CYP4F2 1847/4885CYP4A11 2229/4885TSHR 3356/4885
US-20170015704-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 CYP4F2 553/4885CYP4A11 1201/4885TSHR 3438/4885
US-20140274878-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 CYP4F2 553/4885CYP4A11 1201/4885TSHR 3438/4885

“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.