SCHEMBL5322918

SCHEMBL5322918

N=C(N)c1ccc(N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
F10 P00742 1/20 0.45
ALOX15 P16050 1/20 0.43
CA2 P00918 1/20 0.43
PLAU P00749 1/20 0.42
HPN P05981 1/20 0.42

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
Hydrochloric Acid SCHEMBL14632606 0.82 F10 (0.50) F2PRSS1F10
Hydrochloric Acid SCHEMBL14632425 0.82 F10 (0.50) F2PRSS1F10
SCHEMBL4715449 0.81 SMN1; SMN2 (0.44) CA2
SCHEMBL14632437 0.80 F10 (0.53) F2PRSS1F10
SCHEMBL14632467 0.80 F10 (0.53) F2PRSS1F10
SCHEMBL25262222 0.80 TDP1 (0.45)
SCHEMBL432319 0.79 SMN1; SMN2 (0.51) ITGB3
SCHEMBL15664724 0.79 SMN1; SMN2 (0.51) ITGB3
SCHEMBL630857 0.79 SMN1; SMN2 (0.51) ITGB3
Hydrochloric Acid SCHEMBL14632408 0.79 F10 (0.52) F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity POLYPHOR LTD. (CH) 2018-10-16 US disclosed
US-20160333051-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD (CH) 2016-11-17 US disclosed
EP-1856140-B1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD (CH) 2013-12-25 EP disclosed
EP-1856140-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY Polyphor Ltd. (CH) 2007-11-21 EP disclosed
WO-2006087001-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY POLYPHOR LTD. (CH) 2006-08-24 WO 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-10100084-B2 Template-fixed beta-hairpin peptidomimetics with protease inhibitory activity CTSG, CTRL, PREP F2 594/4885PRSS1 19/4885PRSS2 16/4885
US-20160333051-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH PROTEASE INHIBITORY ACTIVITY CTSG, CTRL, PREP F2 594/4885PRSS1 19/4885PRSS2 16/4885

“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.