SCHEMBL21174049

SCHEMBL21174049

O=C(N[C@H](CCP(=O)(O)O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
KYNU Q16719 1/20 0.53
CTSK P43235 3/20 0.50
IDO1 P14902 1/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
ELANE P08246 1/20 0.49
CTSB P07858 1/20 0.49
CTRB1 P17538 2/20 0.49
CASP1 P29466 3/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
TYR P14679 1/20 0.47

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
SCHEMBL21174062 1.00 TACR1 (0.53) TACR1KYNUCTSKIDO1CTSL
SCHEMBL56432 1.00 TACR1 (0.53) TACR1KYNUCTSKIDO1CTSL
SCHEMBL3354986 0.92 KYNU (0.63) TACR1KYNUCTSKCTSLCTSS
SCHEMBL21174225 0.92 ECE1 (0.54) TACR1KYNUCTSKMMEECE1
SCHEMBL21174139 0.92 ECE1 (0.54) TACR1KYNUCTSKMMEECE1
SCHEMBL57729 0.92 ECE1 (0.54) TACR1KYNUCTSKMMEECE1
SCHEMBL56605 0.91 ECE1 (0.53) TACR1KYNUCTSKMMEECE1
SCHEMBL56606 0.88 TACR1 (0.50) TACR1KYNUCTSKCTSLCTSS
SCHEMBL22419962 0.88 TACR1 (0.52) TACR1KYNUCTSKIDO1CTSL
SCHEMBL21189142 0.87 TACR1 (0.49) TACR1KYNUCTSKIDO1CTSL

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
EP-3514160-B1 NAHLSGEN OPTICAL RESOLUTION METHOD UNIV KYOTO (JP) 2021-08-11 EP disclosed
US-10774098-B2 Nahlsgen optical resolution method KYOTO UNIVERSITY (JP) 2020-09-15 US disclosed
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
EP-3514160-A1 NAHLSGEN OPTICAL RESOLUTION METHOD Kyoto University (JP) 2019-07-24 EP 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 TACR1 2595/4885KYNU 1549/4885CTSK 4850/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD TACR1 2595/4885KYNU 1549/4885CTSK 4850/4885

“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.