SCHEMBL17817316

SCHEMBL17817316

CCCCCCCCCCCCCCSCCOS(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.40
FAAH O00519 4/20 0.37
CES1 P23141 4/20 0.37
PLA2G6 O60733 1/20 0.37
PLA2G4B P0C869 2/20 0.36
EPHX2 P34913 1/20 0.35
PRKD3 O94806 2/20 0.34
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 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
SCHEMBL14308138 0.79 EPHX2 (0.44) CES2THRBBLMCA2EPHX2
SCHEMBL30233747 0.79 EPHX2 (0.44) CES2THRBBLMCA2EPHX2
SCHEMBL7602668 0.74 CES2 (0.45) CES2CTSLCTSBGMNNTP53
SCHEMBL29462497 0.74 CES2 (0.45) CES2CTSLCTSBGMNNTP53
SCHEMBL24370114 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53
SCHEMBL199121 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53
SCHEMBL199011 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53
SCHEMBL867379 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53
SCHEMBL198723 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53
SCHEMBL24362145 0.73 THRB (0.57) CES2CTSLCTSBGMNNTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 CES2 1505/4885CTSL 414/4885CTSB 614/4885

“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.