SCHEMBL4024927

SCHEMBL4024927

C[C@H](NC(=O)OC(C)(C)C)C1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
SCN9A Q15858 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 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
SCHEMBL4024929 1.00 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL9142205 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7501111 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL27398774 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7501113 0.87 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7505172 0.85 SCN9A (0.44) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7505168 0.85 SCN9A (0.44) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL6785554 0.83 SCN9A (0.42) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL6785557 0.83 SCN9A (0.42) ALDH1A1TSHRMAPK1SCN9AATM
SCHEMBL7501037 0.81 SMN1; SMN2 (0.42) ALDH1A1TSHRMAPK1SCN9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ALDH1A1 2880/4885TSHR 1826/4885MAPK1 4096/4885

“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.