SCHEMBL8038535

SCHEMBL8038535

COC(=O)CCCCC(=O)CCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 4/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.43
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL22472185 0.95 TSHR (0.75) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL31578986 0.95 TSHR (0.74) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL31578944 0.92 TSHR (0.70) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL31579008 0.92 TSHR (0.70) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL11313358 0.92 TSHR (0.70) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL31578856 0.92 TSHR (0.70) TSHRLMNAKDM4EALDH1A1RECQL
Hydrochloric Acid SCHEMBL9033471 0.90 TSHR (0.67) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL25279991 0.90 TSHR (0.83) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL10481290 0.89 TSHR (0.81) TSHRLMNAKDM4EALDH1A1RECQL
SCHEMBL14731584 0.89 TSHR (0.54) TSHRLMNAKDM4EALDH1A1RECQL

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 9 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-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-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-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
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 3356/4885LMNA 2481/4885KDM4E 3642/4885
US-20170015704-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 TSHR 3438/4885LMNA 4122/4885KDM4E 3883/4885
US-20140274878-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, BCAT2 TSHR 3438/4885LMNA 4122/4885KDM4E 3883/4885

“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.