SCHEMBL1710600

SCHEMBL1710600

O=S(=O)(CC1(O)CCCCC1)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 2/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KAT6A Q92794 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
BRD4 O60885 1/20 0.35
WDR5 P61964 1/20 0.35

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
SCHEMBL11191894 0.81 GAA (0.47) L3MBTL1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL1710504 0.76 HTR6 (0.44) L3MBTL1KMT2AALDH1A1GAA
SCHEMBL1725084 0.76 GAA (0.38) KMT2AALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL3390215 0.75 AOC2 (0.36) L3MBTL1KMT2AALDH1A1
SCHEMBL3390221 0.75 AOC2 (0.36) L3MBTL1KMT2AALDH1A1
SCHEMBL3385727 0.74 HSD11B1 (0.38) L3MBTL1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL1724446 0.74 ALDH1A1 (0.32) L3MBTL1KMT2AALDH1A1
SCHEMBL19748880 0.72 ALDH1A1 (0.39) L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL1710672 0.72 RORC (0.35) KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL1710588 0.72 L3MBTL1 (0.33) L3MBTL1KMT2AALDH1A1

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 ATM 1621/4885MBTD1 153/4885L3MBTL3 3128/4885

“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.