SCHEMBL20149307

SCHEMBL20149307

CCOC(=O)N[C@H](C(=O)ON1C(=O)CCC1=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1985368 0.87 SMN1; SMN2 (0.35) TYRSMN1; SMN2GAAMEN1KMT2A
SCHEMBL1985371 0.87 SMN1; SMN2 (0.35) TYRSMN1; SMN2GAAMEN1KMT2A
SCHEMBL8641759 0.85 TAS1R3 (0.33) TYRLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL14862368 0.84 TYR (0.34) TYRALDH1A1MEN1KMT2A
SCHEMBL12245282 0.84 TYR (0.34) TYRALDH1A1MEN1KMT2A
SCHEMBL25413295 0.82 DPP4 (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL10308400 0.82 DPP4 (0.35) SMN1; SMN2MEN1KMT2A
SCHEMBL7061312 0.82 PREP (0.44) HTTALDH1A1MEN1KMT2ACTSL
SCHEMBL6159871 0.82 PREP (0.44) HTTALDH1A1MEN1KMT2ACTSL
SCHEMBL197689 0.82 PREP (0.44) HTTALDH1A1MEN1KMT2ACTSL

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-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 US disclosed
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 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-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 TYR 3357/4885LMNA 4039/4885SMN1; SMN2 3231/4885
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 TYR 1604/4885LMNA 2456/4885SMN1; SMN2 2060/4885

“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.