SCHEMBL1710450

SCHEMBL1710450

NCCC(O)c1cc(O)cc(SCC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
GRIN2B Q13224 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRA1A P35348 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
METAP2 P50579 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL3387384 0.86 METAP2 (0.32) LMNATP53MAPK1SMN1; SMN2HIF1A
SCHEMBL3387856 0.86 AR (0.31)
SCHEMBL1710639 0.82 AR (0.34)
SCHEMBL1710557 0.82 AR (0.34)
SCHEMBL1710878 0.81 AR (0.36) NPC1LMNATP53MAPK1RAB9A
SCHEMBL1710712 0.81 AR (0.34)
SCHEMBL1710549 0.80 AR (0.32)
SCHEMBL3389718 0.80 AR (0.33) NPC1LMNATP53MAPK1RAB9A
SCHEMBL3387030 0.80 AR (0.33) NPC1LMNATP53MAPK1RAB9A
SCHEMBL13400295 0.79

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 6 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
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
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 NPC1 407/4885LMNA 3498/4885TP53 3894/4885

“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.