SCHEMBL25533404

SCHEMBL25533404

CC(C)C[C@H](NC(=O)[C@@H](O)CCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.54
MMP3 P08254 3/20 0.53
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
POLB P06746 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CTSK P43235 3/20 0.49
CTSS P25774 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MMP2 P08253 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 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
SCHEMBL23584074 1.00 REN (0.54) RENMMP3MMP1MMP9POLB
SCHEMBL24356018 0.88 BIRC2 (0.58) MMP3MMP1ALDH1A1MMP2
SCHEMBL22110562 0.86 REN (0.54) RENMMP3MMP1CTSKMMP2
SCHEMBL28999982 0.84 REN (0.53) RENMMP3MMP1MMP9POLB
SCHEMBL17015153 0.82 POLB (0.59) RENPOLBMAPTNPSR1ATM
SCHEMBL15223640 0.82 POLB (0.59) RENPOLBMAPTNPSR1ATM
SCHEMBL28585446 0.82 REN (0.47) RENMMP3MMP1MMP9POLB
SCHEMBL6294957 0.82 MMP3 (0.49) RENMMP3MMP1MMP9POLB
SCHEMBL22130539 0.82 ERAP2 (0.62) MMP3MMP1MMP2
SCHEMBL25533190 0.81 POLB (0.56) RENPOLBMAPTNPSR1ATM

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-20230159593-A1 CYCLOSPORINE ANALOGUES UCL BUSINESS LTD (GB) 2023-05-25 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 (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-20230159593-A1 CYCLOSPORINE ANALOGUES HAVCR2, CHP1, HLA-C REN 2907/4885MMP3 1897/4885MMP1 2974/4885

“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.