SCHEMBL16865378

SCHEMBL16865378

CC(C)(C)OC(=O)N[C@H](CO)[C@@H](O)/C=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.46
PPARA Q07869 6/20 0.45
PPARG P37231 5/20 0.45
CTSS P25774 3/20 0.42
CTSK P43235 2/20 0.42
ATM Q13315 1/20 0.42
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.41
REN P00797 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MAPT P10636 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
SCHEMBL16865380 1.00 KLK5 (0.46) KLK5PPARAPPARGCTSSCTSK
SCHEMBL16865381 0.89 SPHK1 (0.42) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865379 0.89 SPHK1 (0.42) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865349 0.89 SPHK1 (0.42) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865351 0.88 PPARA (0.43) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865382 0.88 PPARA (0.43) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865332 0.88 PPARA (0.43) KLK5PPARAPPARGCTSKSPHK1
SCHEMBL16865383 0.84 PPARG (0.46) PPARAPPARGSPHK1MAPT
SCHEMBL13986003 0.82 TDP1 (0.47) KLK5PPARAPPARGCTSSCTSK
SCHEMBL20651355 0.82 SPHK1 (0.65) PPARAPPARGCTSKSPHK1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN KLK5 2560/4885PPARA 191/4885PPARG 354/4885

“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.