SCHEMBL1710302

SCHEMBL1710302

NCC#Cc1cccc(SCC2CCCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HAO1 Q9UJM8 5/20 0.36
CYP2E1 P05181 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2C8 P10632 1/20 0.34
CTSK P43235 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1722980 1.00 AR (0.40) ARCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL1710629 0.99 AR (0.41) ARCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL1710568 0.82 AR (0.46) ARCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL1710414 0.76 CTSK (0.40) ARHAO1CTSK
SCHEMBL13459364 0.76 AR (0.39) ARCYP3A4CYP2D6
SCHEMBL13432396 0.76 AR (0.39) ARCYP3A4CYP2D6
SCHEMBL13400233 0.74 DDB1 (0.48) ARHAO1CTSK
SCHEMBL1722996 0.74 CTSK (0.40) ARHAO1CTSK
SCHEMBL3387272 0.74 AR (0.36) ARCTSK
SCHEMBL3387267 0.74 AR (0.36) ARCTSK

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 AR 4092/4885CYP3A4 4354/4885CYP2C9 4431/4885

“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.