SCHEMBL25003577

SCHEMBL25003577

CC[C@H](C)[C@H](NC(=O)C(F)(F)F)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EPHX1 P07099 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PSENEN Q9NZ42 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
CA2 P00918 1/20 0.33
FPR2 P25090 2/20 0.33

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
SCHEMBL23489852 0.85 ELANE (0.42) ELANEALDH1A1ESR1KCNH2L3MBTL1
SCHEMBL8354598 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSCTSKSMN1; SMN2
SCHEMBL18771241 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSCTSKSMN1; SMN2
SCHEMBL12537194 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1CTSSCTSKSMN1; SMN2
SCHEMBL9344459 0.75 SMN1; SMN2 (0.47) ALDH1A1ESR1KCNH2EPHX1POLB
SCHEMBL12018403 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL23084126 0.74 ALDH1A1 (0.47) ALDH1A1L3MBTL1CTSSCTSKSMN1; SMN2
SCHEMBL3265293 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL5988691 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1NOS3NOS1NOS2
SCHEMBL20793416 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1CTSSCTSKSMN1; SMN2

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-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES THE JOHNS HOPKINS UNIVERSITY (US) 2023-02-09 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-20230045142-A1 SMALL MOLECULE RPN13 INHIBITORS WITH ANTITUMOR PROPERTIES MRPS23, RPP30, RPS19 ELANE 3318/4885ALDH1A1 3385/4885ESR1 2627/4885

“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.