SCHEMBL21189192

SCHEMBL21189192

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.58
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
CTSK P43235 6/20 0.49
TACR1 P25103 2/20 0.49
CTSS P25774 4/20 0.48
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL21174053 1.00 KYNU (0.58) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174074 0.89 KYNU (0.59) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174075 0.89 KYNU (0.59) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174135 0.89 KYNU (0.59) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174049 0.87 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL56432 0.87 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL21174062 0.87 TACR1 (0.53) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL57804 0.87 KYNU (0.48) KYNUALDH1A1ALOX15CTSKTACR1
SCHEMBL57114 0.87 ATM (0.55) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL57134 0.85 POLB (0.48) KYNUALDH1A1CTSKTACR1CTSS

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 1549/4885ALDH1A1 150/4885ALOX15 1768/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD KYNU 1549/4885ALDH1A1 150/4885ALOX15 1768/4885

“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.