SCHEMBL3385272

SCHEMBL3385272

CCCC(CCC)CS(=O)(=O)c1cccc(/C=C/CN)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NAMPT P43490 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ALDH1A1 P00352 2/20 0.30

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
SCHEMBL3385280 1.00 CA1 (0.33) CA1CA2LOXL2SMN1; SMN2NAMPT
SCHEMBL3383781 0.80 PNMT (0.38) CA1CA2SMN1; SMN2HDAC3HDAC4
SCHEMBL3383784 0.80 PNMT (0.38) CA1CA2SMN1; SMN2HDAC3HDAC4
SCHEMBL3385274 0.79 SMN1; SMN2 (0.42) CA1CA2SMN1; SMN2HDAC3HDAC4
SCHEMBL3385268 0.79 SMN1; SMN2 (0.42) CA1CA2SMN1; SMN2HDAC3HDAC4
SCHEMBL3387246 0.78 NAMPT (0.34) CA1CA2NAMPTHDAC3HDAC4
SCHEMBL3387256 0.78 NAMPT (0.34) CA1CA2NAMPTHDAC3HDAC4
SCHEMBL3387796 0.74 KMT2A (0.47) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL3387791 0.74 KMT2A (0.47) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL1710714 0.73 HTR6 (0.46) CA1CA2LOXL2SMN1; 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 4 patents. 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
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 CA1 4504/4885CA2 1943/4885LOXL2 937/4885

“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.