SCHEMBL8426730

SCHEMBL8426730

CNC(=O)CN(C)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
TPSAB1 Q15661 1/20 0.56
ALDH1A1 P00352 4/20 0.49
CACNA1H O95180 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ABCB1 P08183 1/20 0.45
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL11517533 0.85 PRSS1 (0.60) PRSS1TPSAB1ALDH1A1CACNA1HMAPT
SCHEMBL8241799 0.84 CACNA1H (0.56) PRSS1TPSAB1ALDH1A1CACNA1HABCB1
SCHEMBL7505433 0.84 PRSS1 (0.59) PRSS1TPSAB1ALDH1A1CACNA1HMAPT
SCHEMBL316882 0.84 ALDH1A1 (0.55) PRSS1TPSAB1ALDH1A1MAPTHPGD
SCHEMBL25461074 0.83 ABCB1 (0.55) PRSS1TPSAB1ALDH1A1MAPTHPGD
SCHEMBL25380156 0.83 PRSS1 (0.57) PRSS1TPSAB1ALDH1A1CACNA1HMAPT
SCHEMBL6447135 0.83 ALDH1A1 (0.53) PRSS1TPSAB1ALDH1A1MAPTHPGD
Hydrochloric Acid SCHEMBL6444517 0.83 ALDH1A1 (0.53) PRSS1TPSAB1ALDH1A1MAPTHPGD
SCHEMBL2621484 0.83 ALDH1A1 (0.58) PRSS1TPSAB1ALDH1A1MAPTHPGD
SCHEMBL8555208 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHPGDABCB1CCR6

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-7504431-B2 Sulfonyl amide inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-17 US disclosed
US-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function BRISTOL- MYERS SQUIBB COMPANY 2005-11-03 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-20050245535-A1 Sulfonyl amide inhibitors of calcium channel function CACNA1F, CACNA1A, CACNA1D PRSS1 2023/4885TPSAB1 2512/4885ALDH1A1 1848/4885

“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.