SCHEMBL1724792

SCHEMBL1724792

CC(C)(C)OC(=O)NCCC(O)c1cccc(SCC2CCC(F)(F)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL1B P01584 4/20 0.36
P2RX7 Q99572 3/20 0.36
UTS2R Q9UKP6 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ROCK2 O75116 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
RORC P51449 1/20 0.33
KCNA5 P22460 1/20 0.33
NQO2 P16083 1/20 0.33
IDO1 P14902 1/20 0.33
DRD2 P14416 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
POLB P06746 1/20 0.32
ACACB O00763 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
SCHEMBL1710407 0.90 EPHX1 (0.38) UTS2RMALT1NQO2IDO1
SCHEMBL1725728 0.89 EPHX1 (0.39) MALT1NQO2
SCHEMBL1724178 0.86 ROCK2 (0.35) P2RX7ROCK2
SCHEMBL2167617 0.83 IL1B (0.39) IL1BP2RX7ROCK2IDO1DRD2
SCHEMBL1710895 0.82 ACACB (0.35) IL1BP2RX7ROCK2NQO2DRD2
SCHEMBL3386798 0.81 EPHX1 (0.39) UTS2RMALT1GPR88KCNA5NQO2
SCHEMBL3388602 0.80 EPHX1 (0.38) MALT1NQO2
SCHEMBL1725320 0.80 MALT1 (0.36) UTS2RMALT1KCNA5NQO2IDO1
SCHEMBL1710538 0.80 IDO1 (0.34) UTS2RMALT1GPR88RORCNQO2
SCHEMBL1710613 0.80 PNMT (0.32) ROCK2

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 IL1B 2864/4885P2RX7 2190/4885UTS2R 544/4885

“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.