SCHEMBL1722159

SCHEMBL1722159

CCCC[S+]([O-])c1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 4/20 0.36
CA9 Q16790 4/20 0.36
DRD2 P14416 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
BCHE P06276 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
SCHEMBL1724523 0.85 GPR88 (0.36) NQO2CA1CA2CA12CA9
SCHEMBL1725422 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAMAPTHPGD
SCHEMBL3390536 0.84 EPHX1 (0.38) NQO2CA1CA2SMN1; SMN2SIGMAR1
SCHEMBL1725661 0.83 EPHX1 (0.40) NQO2CA1CA2SMN1; SMN2SIGMAR1
SCHEMBL13323959 0.80 L3MBTL1 (0.49) NQO2CA1CA2SMN1; SMN2KDM4E
SCHEMBL17737797 0.78 THRB (0.54) CA1CA2CA12CA9GAA
SCHEMBL1710775 0.78 HSD17B3 (0.39) SMN1; SMN2
SCHEMBL2167461 0.78 CA1 (0.44) CA1CA2SMN1; SMN2CA12CA9
SCHEMBL2197030 0.77 CA1 (0.59) CA1CA2SMN1; SMN2KDM4EALDH1A1
SCHEMBL1710591 0.77 KMT2A (0.44) NQO2CA1CA2SMN1; SMN2KDM4E

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 NQO2 2067/4885CA1 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.