SCHEMBL3626382

SCHEMBL3626382

Cn1c(C(=O)N[C@@H](CCCNC(=O)OCC2CCCCC2)C(=O)N[C@H]2CCC[C@H]2C(=O)O)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 1/20 0.37
TACR2 P21452 1/20 0.37
CTSL P07711 1/20 0.37
CNR2 P34972 1/20 0.36
PHGDH O43175 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
PTGER4 P35408 3/20 0.35
RCE1 Q9Y256 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 1/20 0.34
HDAC3 O15379 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL12193694 0.91 CTSS (0.46) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL12193688 0.90 CTSS (0.41) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL2845533 0.90 CTSS (0.48) CTSSTACR2CTSLPTGER4KLK7
SCHEMBL12193693 0.90 CTSS (0.42) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL2845514 0.90 CTSS (0.48) CTSSTACR2CTSLPTGER4KLK7
SCHEMBL13512993 0.90 CTSS (0.42) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL12193690 0.88 CTSS (0.41) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL13512975 0.83 PHGDH (0.42) CTSSHDAC1HDAC2TACR2CTSL
Hydrochloric Acid SCHEMBL2841193 0.82 PHGDH (0.41) CTSSHDAC1HDAC2TACR2CTSL
SCHEMBL2495376 0.80 CPB1 (0.47) CTSSCTSLPTGER4KLK7KLK5

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-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CTSS 4049/4885HDAC1 3656/4885HDAC2 1494/4885

“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.