SCHEMBL1723206

SCHEMBL1723206

Fc1ccc(SCC2CCCCC2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.46
AR P10275 4/20 0.45
TDO2 P48775 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
DPEP1 P16444 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE7A Q13946 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL20384538 0.92 AR (0.47) IDO1AR
SCHEMBL1710812 0.79 AR (0.59) AR
SCHEMBL1710987 0.78 AR (0.45) IDO1AROPRL1
SCHEMBL31568099 0.77 AR (0.60) AR
SCHEMBL20384478 0.75 IDO1 (0.36) IDO1
SCHEMBL20384357 0.75 MAOA (0.49) IDO1ARTDO2MAOAMAOB
SCHEMBL1710734 0.75 AR (0.42) ARMAPTTDP1L3MBTL1PDE7A
SCHEMBL21820657 0.74 CRBN (0.49) ARMAOAMAOBL3MBTL1
SCHEMBL13400234 0.74 CTSK (0.48) ARMAOAMAPTTDP1L3MBTL1
SCHEMBL1710383 0.74 CTSK (0.48) ARMAOAMAPTTDP1L3MBTL1

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 IDO1 3810/4885AR 4092/4885TDO2 3328/4885

“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.