SCHEMBL3383770

SCHEMBL3383770

NCCC(O)c1cc(SCC2CCCCC2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.31
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM3B Q7LBC6 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL3390189 0.90 AR (0.36) ARNUDT1BACE1NPC1LMNA
SCHEMBL1710721 0.88 AR (0.38) AR
SCHEMBL1710851 0.81 AR (0.43) ARNPC1LMNATP53MAPK1
SCHEMBL1710557 0.79 AR (0.34) AR
SCHEMBL1710639 0.79 AR (0.34) AR
SCHEMBL1726672 0.78 METAP2 (0.33) NPC1LMNATP53MAPK1RAB9A
SCHEMBL1710712 0.77 AR (0.34) AR
SCHEMBL3387030 0.77 AR (0.33) ARNPC1LMNATP53MAPK1
SCHEMBL3389718 0.77 AR (0.33) ARNPC1LMNATP53MAPK1
SCHEMBL1710450 0.76 NPC1 (0.33) NPC1LMNATP53MAPK1RAB9A

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 4 patents. 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
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 4092/4885NUDT1 306/4885BACE1 1346/4885

“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.