SCHEMBL26200321

SCHEMBL26200321

CC[C@H]1COc2c(N3CC[C@@H](N)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM1 P11229 1/20 0.60
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
AADAT Q8N5Z0 2/20 0.59
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
ALB P02768 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57

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
SCHEMBL20576314 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL30306103 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8134910 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL30306067 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8571680 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL25377603 0.89 AADAT (0.75) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL10680729 0.87 KDM4E (0.55) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL26200302 0.83 KDM4E (0.51) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL26200265 0.83 AADAT (0.55) ALDH1A1POLBAADATKDM4EHPGD
SCHEMBL11076172 0.83 AADAT (0.81) ALDH1A1POLBCHRM2CHRM1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 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 (1 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 ALDH1A1 481/4885POLB 2990/4885CHRM2 2096/4885

“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.