SCHEMBL3389308

SCHEMBL3389308

CCCC(O)(CCC)C[S+]([O-])c1cccc(C(O)CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL1722924 0.83 MTNR1A (0.33) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL1710785 0.82 PNMT (0.32)
SCHEMBL610036 0.80 OPRK1 (0.36) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL610037 0.80 OPRK1 (0.36) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL10237441 0.80 OPRK1 (0.36) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL3185692 0.78 CNR1 (0.41) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL1710744 0.78 GAA (0.36) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL1722448 0.77 CYP3A4 (0.37) CNR1CNR2MTNR1AMTNR1BEPHX1
SCHEMBL1724248 0.77 ITGB1 (0.34) CNR1CNR2MTNR1AMTNR1B
SCHEMBL3387507 0.76 ITGB1 (0.34) MTNR1AMTNR1B

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 CNR1 3211/4885CNR2 3404/4885MTNR1A 109/4885

“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.