SCHEMBL3389304

SCHEMBL3389304

NCC=Cc1cccc(S(=O)(=O)CCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
LOX P28300 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
CA2 P00918 3/20 0.40
PRMT1 Q99873 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
AKR1B10 O60218 1/20 0.36

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
SCHEMBL3389302 1.00 HTR6 (0.44) HTR6LOXHDAC3HDAC4HDAC1
SCHEMBL3383784 0.80 PNMT (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3383781 0.80 PNMT (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3387945 0.77 HDAC1 (0.41) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3387952 0.77 HDAC1 (0.41) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1710640 0.76 HTR6 (0.59) HTR6LOXCA2CA12CA1
SCHEMBL3241520 0.74 LOX (0.54) HTR6LOXHDAC1HDAC8CA2
SCHEMBL1722651 0.72 MEN1 (0.53) HTR6LOXHDAC1HDAC8CA2
SCHEMBL3386672 0.72 ALDH1A1 (0.37) HTR6ALDH1A1
SCHEMBL3386668 0.72 ALDH1A1 (0.37) HTR6ALDH1A1

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 HTR6 1538/4885LOX 594/4885HDAC3 548/4885

“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.