SCHEMBL25003547

SCHEMBL25003547

CC(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ACE P12821 4/20 0.47
▸ MME P08473 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ESR1 P03372 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ FPR2 P25090 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ CTRB1 P17538 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CPA1 P15085 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ SRC P12931 1/20 0.43

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
SCHEMBL20802463 0.87 NPSR1 (0.52) NPSR1NPC1RAB9AACEMME
SCHEMBL5180354 0.84 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL8613833 0.84 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL5180357 0.84 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL19575793 0.84 MME (0.67) NPSR1NPC1RAB9AACEMME
SCHEMBL13900785 0.82 ATM (0.62) RAB9AL3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL5693509 0.82 ATM (0.62) RAB9AL3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL9341590 0.82 ALDH1A1 (0.50) NPSR1NPC1RAB9AACEMME
SCHEMBL7852408 0.81 CTSS (0.60) NPC1RAB9ACTRB1
SCHEMBL12537239 0.81 CTSS (0.60) NPC1RAB9ACTRB1

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 NPSR1 2434/4885NPC1 2307/4885RAB9A 390/4885

“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.

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