SCHEMBL3385740

SCHEMBL3385740

CC(C)(C)OC(=O)NCCC(O)c1cc(S(=O)(=O)CC2CCCCC2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
EPHX1 P07099 1/20 0.38
RORC P51449 11/20 0.37
CCR2 P41597 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL3388591 0.90 CA1 (0.39) ACACBEPHX1CCR2CA1CA2
SCHEMBL1710630 0.86 KMT2A (0.35) CA2
SCHEMBL13400241 0.83 CA1 (0.40) ACACBEPHX1RORCCA1CA2
SCHEMBL1710846 0.83 EPHX1 (0.38) ACACBEPHX1RORCCCR2CA1
SCHEMBL1710814 0.82 ACACB (0.38) ACACBEPHX1RORCCCR2CA1
SCHEMBL3390909 0.82 EPHX1 (0.38) ACACBEPHX1CCR2CA1CA2
SCHEMBL1722776 0.81 ADRA2C (0.38) CA2
SCHEMBL3390261 0.80 EPHX1 (0.36) ACACBEPHX1RORCCCR2CA1
SCHEMBL1710454 0.80 EPHX1 (0.39) ACACBEPHX1CCR2CA1CA2
SCHEMBL1710803 0.80 EPHX1 (0.39) ACACBEPHX1RORCCCR2CA1

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 ACACB 2089/4885EPHX1 3213/4885RORC 987/4885

“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.