SCHEMBL8043403

SCHEMBL8043403

COC(=O)CCCCC(CCO)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SLC1A1 P43005 1/20 0.37
RECQL P46063 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 1/20 0.34
BIRC2 Q13490 1/20 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
SCHEMBL15237377 0.91 TSHR (0.47) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL11615218 0.89 TSHR (0.56) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL28042796 0.86 CA1 (0.55) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL27966661 0.86 CA2 (0.65) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL11149235 0.85 TSHR (0.52) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL15237376 0.84 L3MBTL1 (0.49) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL5978900 0.84 CA2 (0.62) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL6895660 0.84 CA1 (0.58) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL8107918 0.83 TSHR (0.54) TSHRCA1CA2L3MBTL1LMNA
SCHEMBL495444 0.82 CA1 (0.65) TSHRCA1CA2L3MBTL1LMNA

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 TSHR 3356/4885CA1 4731/4885CA2 3902/4885
US-20170015704-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 TSHR 3438/4885CA1 4486/4885CA2 2495/4885
US-20140274878-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 TSHR 3438/4885CA1 4486/4885CA2 2495/4885

“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.