SCHEMBL1710315

SCHEMBL1710315

CCC(O)(CC)CSc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RIPK1 Q13546 1/20 0.35
MAOB P27338 2/20 0.35
CTSK P43235 1/20 0.35
MAPK1 P28482 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
C1S P09871 1/20 0.33
PARP1 P09874 1/20 0.33
HTT P42858 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
SCHEMBL1710889 0.90 MAOA (0.46) MAOACA1CA2CA4CA7
SCHEMBL3274859 0.83 MAOA (0.51) MAOACA1CA2CA4CA7
SCHEMBL31299577 0.76 MAOA (0.59) MAOACA1CA2CA4CA7
SCHEMBL100217 0.76 MAOA (0.59) MAOACA1CA2CA4CA7
SCHEMBL27016721 0.76 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL27016849 0.76 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL4200330 0.75 MAOA (0.50) MAOACA1CA2CA4CA7
SCHEMBL31299574 0.73 MAOA (0.56) MAOACA1CA2CA4CA7
SCHEMBL1368207 0.73 MAOA (0.56) MAOACA1CA2CA4CA7
SCHEMBL1710584 0.73 HTR6 (0.41) MAOATAAR1

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 5 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

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 MAOA 3658/4885CA1 4504/4885CA2 1943/4885

“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.