SCHEMBL3383784

SCHEMBL3383784

CCCCS(=O)(=O)c1cccc(C=CCN)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
P4HB P07237 3/20 0.37
CA2 P00918 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3383781 1.00 PNMT (0.38) PNMTP4HBCA2CA12CA1
SCHEMBL3385280 0.80 CA1 (0.33) CA2CA1ALDH1A1SMN1; SMN2HDAC3
SCHEMBL3385272 0.80 CA1 (0.33) CA2CA1ALDH1A1SMN1; SMN2HDAC3
SCHEMBL3389302 0.80 HTR6 (0.44) CA2CA12CA1ALDH1A1HDAC3
SCHEMBL3389304 0.80 HTR6 (0.44) CA2CA12CA1ALDH1A1HDAC3
SCHEMBL3387791 0.77 KMT2A (0.47) PNMTCA2CA12CA1CA9
SCHEMBL3387796 0.77 KMT2A (0.47) PNMTCA2CA12CA1CA9
SCHEMBL1724755 0.76 LMNA (0.37) P4HBCA2CA12CA1CA9
SCHEMBL3385262 0.76 LMNA (0.37) P4HBCA2CA12CA1CA9
SCHEMBL3385268 0.74 SMN1; SMN2 (0.42) CA2CA12CA1CA9SMN1; SMN2

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 PNMT 3422/4885P4HB 1609/4885CA2 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.