SCHEMBL1710565

SCHEMBL1710565

[2H]c1cc(CO)cc(SCC2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.37
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE7A Q13946 1/20 0.32
CTSB P07858 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL19277082 0.76 CRBN (0.46) ARCTSBDDB1CRBN
SCHEMBL1710780 0.75 AR (0.39) ARNPC1LMNATP53MAPK1
SCHEMBL1710793 0.75 MAPT (0.34) ARNPC1LMNATP53MAPK1
SCHEMBL3389718 0.72 AR (0.33) ARNPC1LMNATP53MAPK1
SCHEMBL1710749 0.71 AR (0.39) ARNPC1LMNATP53MAPK1
SCHEMBL13459364 0.70 AR (0.39) ARCYP3A4CYP2D6CTSB
SCHEMBL13432396 0.70 AR (0.39) ARCYP3A4CYP2D6CTSB
SCHEMBL13400249 0.69 CTSK (0.49) ARNPC1LMNATP53MAPK1
SCHEMBL13459306 0.68 AR (0.40) ARCYP3A4CYP2D6CTSBCRBN
SCHEMBL13459314 0.67 ALOX5 (0.36) LMNARAB9ACYP1A2CYP2E1CYP3A4

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 AR 4092/4885NPC1 407/4885LMNA 3498/4885

“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.