SCHEMBL1710987

SCHEMBL1710987

O=Cc1cc(SCC2CCCCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP10 Q53GL7 1/20 0.33
IDO1 P14902 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
OPRL1 P41146 1/20 0.32
KMT2A Q03164 1/20 0.32
SRC P12931 1/20 0.32
DAO P14920 1/20 0.32
HDAC3 O15379 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
SCHEMBL1710674 0.83 AR (0.42) ARNPC1RAB9ASMN1; SMN2GPR84
SCHEMBL1710734 0.83 AR (0.42) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1710728 0.81 AR (0.59) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL1723206 0.78 IDO1 (0.46) ARIDO1OPRL1
SCHEMBL1710658 0.74 RAB9A (0.41) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL13400236 0.74 AR (0.41) ARGPR84DAO
SCHEMBL1710777 0.72 AR (0.40) ARNPC1RAB9ASMN1; SMN2GPR84
SCHEMBL1722332 0.72 AR (0.42) ARGPR84
SCHEMBL1722928 0.71 SRC (0.37) ARCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL27197612 0.71 PARP10 (0.56) PARP10

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 4092/4885CYP1A2 4705/4885CYP2E1 4810/4885

“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.