SCHEMBL21206321

SCHEMBL21206321

COCCNC(=O)CCCCC1SC[C@@H]2NC(O)NC12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TPSAB1 Q15661 2/20 0.47
F2 P00734 1/20 0.47
TDP1 Q9NUW8 4/20 0.44
PLCD1 P51178 1/20 0.43
PKM P14618 3/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.37
PLG P00747 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL19034456 0.87 TDP1 (0.45) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24766871 0.86 PRSS1 (0.47) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL22364111 0.85 TDP1 (0.47) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13907111 0.84 PRSS1 (0.48) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18881123 0.84 TDP1 (0.49) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL22473613 0.83 FAAH (0.42) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL11983712 0.83 TDP1 (0.51) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL20123269 0.82 TDP1 (0.50) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21390226 0.82 TDP1 (0.44) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL11974152 0.81 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190234956-A1 METHOD FOR DETECTING CROSSLINKED PEPTIDES VIA REPRODUCIBLE FRAGMENTATION IN A MASS SPECTROMETER ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2019-08-01 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-20190234956-A1 METHOD FOR DETECTING CROSSLINKED PEPTIDES VIA REPRODUCIBLE FRAGMENTATION IN A MASS SPECTROMETER PTMS, DCLRE1A, PDAP1 PRSS1 950/4885PRSS2 895/4885PRSS3 668/4885

“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.