SCHEMBL21922525

SCHEMBL21922525

CCCCCC(CCC(C)(C)C)NC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
PLA2G2C Q5R387 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
SPHK2 Q9NRA0 1/20 0.33
OPRM1 P35372 1/20 0.31
CTSK P43235 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GRIK1 P39086 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
GRIK2 Q13002 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
TP53 P04637 1/20 0.30
LAP3 P28838 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
SCHEMBL22209352 0.86 SPHK1 (0.45) PLA2G2CSPHK1SPHK2OPRM1TP53
SCHEMBL21908450 0.86 PLA2G2C (0.42) PLA2G2CSPHK1SPHK2OPRM1CA1
SCHEMBL25866575 0.86 SPHK1 (0.45) PLA2G2CSPHK1SPHK2OPRM1TP53
SCHEMBL14547023 0.84 PLA2G2C (0.45) PLA2G2CSPHK1SPHK2OPRM1CA2
SCHEMBL11331509 0.82 PLA2G2C (0.41) PLA2G2CSPHK1SPHK2CA1CA2
SCHEMBL17046803 0.80 SPHK1 (0.39) PLA2G2CSPHK1SPHK2OPRM1CA1
SCHEMBL28189421 0.76 SPHK1 (0.39) PLA2G2CSPHK1SPHK2OPRM1TP53
SCHEMBL10546368 0.74 TSHR (0.39) PLA2G2CSPHK1SPHK2TP53LAP3
SCHEMBL9064413 0.74 ALDH1A1 (0.38) PLA2G2CSPHK1SPHK2CA1CA2
SCHEMBL17234296 0.73 GPR84 (0.47) PLA2G2C

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
US-11090273-B2 Tagged poly(ester amide urethane)s, nanoparticles formed from same, and uses thereof CORNELL UNIVERSITY (US) 2021-08-17 US disclosed
US-20200129447-A1 TAGGED POLY(ESTER AMIDE URETHANE)S, NANOPARTICLES FORMED FROM SAME, AND USES THEREOF CORNELL UNIVERSITY 2020-04-30 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 (2 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-11090273-B2 Tagged poly(ester amide urethane)s, nanoparticles formed from same, and uses thereof UGGT1, PARG, GNE PRSS1 3271/4885CTSG 659/4885CTRB1 3540/4885
US-20200129447-A1 TAGGED POLY(ESTER AMIDE URETHANE)S, NANOPARTICLES FORMED FROM SAME, AND USES THEREOF UGGT1, PARG, GNE PRSS1 3271/4885CTSG 659/4885CTRB1 3540/4885

“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.