SCHEMBL19787736

SCHEMBL19787736

CCOC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HLA-DRB1 P01911 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTT P42858 2/20 0.38
ECE1 P42892 1/20 0.37
TYR P14679 1/20 0.36
CASP3 P42574 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL193208 0.84 NPSR1 (0.47) HTTTYRNPSR1ALDH1A1LMNA
SCHEMBL6858 0.84 NPSR1 (0.47) HTTTYRNPSR1ALDH1A1LMNA
SCHEMBL1952824 0.84 NPSR1 (0.47) HTTTYRNPSR1ALDH1A1LMNA
SCHEMBL10513380 0.84 TYR (0.44) MMEACECPA1ACE2HTT
SCHEMBL753926 0.84 TYR (0.44) MMEACECPA1ACE2HTT
SCHEMBL3551870 0.84 TYR (0.44) MMEACECPA1ACE2HTT
SCHEMBL14862094 0.83 BACE1 (0.40) MMEACECPA1ACE2CTSS
SCHEMBL12285510 0.83 BACE1 (0.40) MMEACECPA1ACE2CTSS
SCHEMBL12245283 0.83 BACE1 (0.40) MMEACECPA1ACE2CTSS
SCHEMBL29613052 0.82 MME (0.41) MMEACECPA1ACE2CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799595-B2 Pyrrolobenzodiazepine conjugates MEDIMMUNE LIMITED (GB) 2020-10-13 US disclosed
US-20190282705-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2019-09-19 US disclosed
US-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2019-05-16 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 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 (3 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-20190282705-A1 PYRROLOBENZODIAZEPINE CONJUGATES GABRE, GRIN2B, GABRB1 MME 3456/4885ACE 3435/4885CPA1 3520/4885
US-10799595-B2 Pyrrolobenzodiazepine conjugates GABRE, GRIN2B, GABRB1 MME 3456/4885ACE 3435/4885CPA1 3520/4885
US-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS TUBA1C, MTX2, CCNO MME 1727/4885ACE 3636/4885CPA1 1108/4885

“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.