SCHEMBL21189147

SCHEMBL21189147

O=CP(=O)(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1cccc(CC(=O)OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.46
ELANE P08246 2/20 0.43
PRTN3 P24158 2/20 0.42
KLK1 P06870 2/20 0.42
TP53 P04637 1/20 0.41
F2 P00734 2/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK8 O60259 1/20 0.40
PLG P00747 1/20 0.40
KLK4 Q9Y5K2 1/20 0.40
KYNU Q16719 1/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL21189145 0.85 CASP1 (0.46) CASP1ELANEPRTN3KLK1TP53
SCHEMBL21189146 0.85 KYNU (0.46) CASP1ELANEPRTN3KLK1TP53
SCHEMBL21189177 0.85 KYNU (0.46) CASP1ELANEPRTN3KLK1TP53
SCHEMBL57869 0.85 KYNU (0.46) CASP1ELANEPRTN3KLK1TP53
SCHEMBL57867 0.79 CASP1 (0.47) CASP1ELANEALDH1A1MAPK1L3MBTL1
SCHEMBL21189142 0.77 TACR1 (0.49) CASP1ELANEKYNUTACR1
SCHEMBL56888 0.76 CASP1 (0.47) CASP1ELANEPRTN3KLK1KYNU
SCHEMBL56936 0.76 CASP1 (0.48) CASP1ELANEPRTN3KLK1TP53
SCHEMBL56934 0.75 CASP1 (0.53) CASP1ELANEALDH1A1MAPK1L3MBTL1
SCHEMBL21174049 0.74 TACR1 (0.53) CASP1ELANEALDH1A1KYNUTACR1

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-10774098-B2 Nahlsgen optical resolution method KYOTO UNIVERSITY (JP) 2020-09-15 US disclosed
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD KYOTO UNIVERSITY (JP) 2019-07-25 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-10774098-B2 Nahlsgen optical resolution method HACL2, HAO2, HPD CASP1 1294/4885ELANE 3823/4885PRTN3 3349/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD CASP1 1294/4885ELANE 3823/4885PRTN3 3349/4885

“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.