SCHEMBL21189146

SCHEMBL21189146

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.46
CASP1 P29466 3/20 0.46
ELANE P08246 2/20 0.46
PRTN3 P24158 2/20 0.46
KLK1 P06870 1/20 0.42
CTSK P43235 2/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL21189177 1.00 KYNU (0.46) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL57869 1.00 KYNU (0.46) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL56888 0.91 CASP1 (0.47) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL56936 0.91 CASP1 (0.48) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL21189145 0.85 CASP1 (0.46) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL21189147 0.85 CASP1 (0.46) KYNUCASP1ELANEPRTN3KLK1
SCHEMBL56584 0.85 HDAC1 (0.52) KYNUELANEPRTN3CTSL
SCHEMBL21189273 0.85 ALDH1A1 (0.43) ELANEPRTN3ALDH1A1
SCHEMBL21189149 0.85 ALDH1A1 (0.43) ELANEPRTN3ALDH1A1
SCHEMBL21189148 0.85 ALDH1A1 (0.43) ELANEPRTN3ALDH1A1

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 KYNU 1549/4885CASP1 1294/4885ELANE 3823/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD KYNU 1549/4885CASP1 1294/4885ELANE 3823/4885

“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.