SCHEMBL1722913

SCHEMBL1722913

CC(C)(C)OC(=O)NCCC(O)(F)c1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.42
CACNA1B Q00975 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CCR2 P41597 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ACACB O00763 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL1725856 0.80 CA1 (0.51) CA1CA2ACACBEPHX1
SCHEMBL13400240 0.80 ALDH1A1 (0.43) CA1CA2ACACBEPHX1
SCHEMBL13400275 0.79 ACACB (0.41) RORCCA1CA2ACACBEPHX1
SCHEMBL13400241 0.79 CA1 (0.40) RORCCA1CA2ACACBEPHX1
SCHEMBL3388472 0.77 CA1 (0.41) RORCCA1CA2CCR2ACACB
SCHEMBL1710605 0.77 CA1 (0.38) CA1CA2ACACBEPHX1
SCHEMBL1724729 0.76 DDB1 (0.48) RORCCA1CA2ACACBEPHX1
SCHEMBL1498399 0.76 RORC (0.50) RORCCACNA1BCYP3A4CYP2C19CCR2
SCHEMBL1498398 0.76 RORC (0.50) RORCCACNA1BCYP3A4CYP2C19CCR2
SCHEMBL12692913 0.76 RORC (0.50) RORCCACNA1BCYP3A4CYP2C19CCR2

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 RORC 987/4885CACNA1B 2464/4885CYP3A4 4354/4885

“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.