SCHEMBL3387256

SCHEMBL3387256

CCCC(CCC)CS(=O)(=O)c1cccc(C=CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL3387246 1.00 NAMPT (0.34) NAMPTCA1CA2CYP3A4CYP2C19
SCHEMBL1724755 0.84 LMNA (0.37) NAMPTCA1CA2CYP3A4CYP2C19
SCHEMBL3385262 0.84 LMNA (0.37) NAMPTCA1CA2CYP3A4CYP2C19
SCHEMBL3388394 0.84 CTSL (0.38) CA1CA2TAS1R3TAS1R1HDAC3
SCHEMBL3388391 0.84 CTSL (0.38) CA1CA2TAS1R3TAS1R1HDAC3
SCHEMBL3385787 0.80 HDAC3 (0.40) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL3385795 0.80 HDAC3 (0.40) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL3387914 0.78 GAA (0.34) TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL3387918 0.78 GAA (0.34) TAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL3385280 0.78 CA1 (0.33) NAMPTCA1CA2HDAC3HDAC4

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 NAMPT 89/4885CA1 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.