SCHEMBL3385274

SCHEMBL3385274

CCCC(CCC)NS(=O)(=O)c1cccc(C=CCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HDAC3 O15379 8/20 0.35
HDAC4 P56524 8/20 0.35
HDAC1 Q13547 8/20 0.35
HDAC7 Q8WUI4 8/20 0.35
HDAC2 Q92769 8/20 0.35
HDAC10 Q969S8 8/20 0.35
HDAC11 Q96DB2 8/20 0.35
HDAC8 Q9BY41 8/20 0.35
HDAC6 Q9UBN7 8/20 0.35
HDAC9 Q9UKV0 8/20 0.35
HDAC5 Q9UQL6 8/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
ESR1 P03372 1/20 0.34
PTGS1 P23219 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
SCHEMBL3385268 1.00 SMN1; SMN2 (0.42) SMN1; SMN2CA2CA1CA12CA9
SCHEMBL1710544 0.84 CA1 (0.38) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL1710540 0.84 CA1 (0.38) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL1710542 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL3387791 0.81 KMT2A (0.47) CA2CA1CA12CA9HDAC3
SCHEMBL3387796 0.81 KMT2A (0.47) CA2CA1CA12CA9HDAC3
SCHEMBL3388394 0.79 CTSL (0.38) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL3388391 0.79 CTSL (0.38) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL3385280 0.79 CA1 (0.33) SMN1; SMN2CA2CA1HDAC3HDAC4
SCHEMBL3385272 0.79 CA1 (0.33) SMN1; SMN2CA2CA1HDAC3HDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 SMN1; SMN2 129/4885CA2 1943/4885CA1 4504/4885

“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.