SCHEMBL3387273

SCHEMBL3387273

O=C(NCCC(O)c1cccc(SCC2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL1725082 0.99 MTNR1A (0.33) MTNR1AMTNR1BSLC6A2SLC6A4ALDH1A1
SCHEMBL1710762 0.88 SMN1; SMN2 (0.34) MTNR1AMTNR1BALDH1A1MAPK1TDP1
SCHEMBL1724736 0.87 MTNR1A (0.40) MTNR1AMTNR1BSLC6A2SLC6A4ALDH1A1
SCHEMBL1710722 0.86 SMN1; SMN2 (0.35) MTNR1AMTNR1BALDH1A1MAPK1TDP1
SCHEMBL1726496 0.83 CYP3A4 (0.35) ALDH1A1MAPK1TDP1CNR2LMNA
SCHEMBL1725320 0.82 MALT1 (0.36) ALDH1A1MAPK1TDP1CNR2LMNA
SCHEMBL13400259 0.81 HDAC6 (0.38) MTNR1AMTNR1B
SCHEMBL13400239 0.81 HDAC6 (0.38) MTNR1AMTNR1B
SCHEMBL1722655 0.81 ALDH1A1 (0.33) SLC6A2SLC6A4ALDH1A1MAPK1TDP1
SCHEMBL614292 0.80 MAPK14 (0.36) MTNR1AMTNR1BMAPK1ITGB1ITGA4

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MTNR1A 109/4885MTNR1B 82/4885SLC6A2 2267/4885

“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.