SCHEMBL1722924

SCHEMBL1722924

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR1 P25103 2/20 0.31
TACR3 P29371 2/20 0.31
PNMT P11086 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL3389308 0.83 CNR1 (0.32) MTNR1AMTNR1BCNR1CNR2EPHX1
SCHEMBL1710836 0.80 PNMT (0.35) ALDH1A1PNMT
SCHEMBL1724248 0.79 ITGB1 (0.34) MTNR1AMTNR1BCNR1CNR2
SCHEMBL3387507 0.78 ITGB1 (0.34) MTNR1AMTNR1B
SCHEMBL1723043 0.78 GAA (0.36) MTNR1AMTNR1BCNR1CNR2ALDH1A1
SCHEMBL4569064 0.76 CNR1 (0.41) MTNR1AMTNR1BCNR1CNR2ALDH1A1
SCHEMBL612756 0.76 CNR1 (0.41) MTNR1AMTNR1BCNR1CNR2ALDH1A1
SCHEMBL4569062 0.75 HIF1A (0.47) MTNR1AMTNR1BCNR1CNR2
SCHEMBL17735444 0.75 HIF1A (0.47) MTNR1AMTNR1BCNR1CNR2
SCHEMBL1710915 0.74 FDFT1 (0.40) MTNR1AMTNR1BPOLBCYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO 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 82/4885CNR1 3211/4885

“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.