SCHEMBL1722651

SCHEMBL1722651

O=S(=O)(CCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 2/20 0.49
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HSD11B1 P28845 1/20 0.42
LOX P28300 1/20 0.42

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
SCHEMBL3241520 0.82 LOX (0.54) KMT2APOLBCTDSP1NPC1CA2
SCHEMBL17364184 0.80 ATM (0.45) MEN1KMT2AMMP2EGFRERBB2
SCHEMBL1710640 0.78 HTR6 (0.59) POLBCA2CA12CA1CA7
SCHEMBL17699828 0.77 ATM (0.43) MEN1KMT2AMMP2EGFRERBB2
SCHEMBL29782813 0.77 ATM (0.43) MEN1KMT2AMMP2EGFRERBB2
SCHEMBL28605173 0.77 ATM (0.43) MEN1KMT2AMMP2EGFRERBB2
SCHEMBL1369921 0.77 CA2 (0.47) MMP2EGFRERBB2POLBATM
SCHEMBL263686 0.77 ATM (0.46) MMP2ATMALDH1A1
SCHEMBL9813790 0.77 HDAC1 (0.47) MEN1KMT2AEGFRERBB2POLB
SCHEMBL21872042 0.77 ATM (0.61) MEN1KMT2AEGFRERBB2ATM

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 MEN1 4678/4885KMT2A 2843/4885MMP2 3935/4885

“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.