SCHEMBL1710522

SCHEMBL1710522

O=C(NCCCc1cccc(S(=O)(=O)CCCCCO)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TBXA2R P21731 1/20 0.39
MGLL Q99685 1/20 0.39
MLYCD O95822 1/20 0.39
FDFT1 P37268 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.37
NAMPT P43490 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL1710601 0.87 LMNA (0.43) POLBMEN1KMT2AMLYCDFDFT1
SCHEMBL1710649 0.86 POLB (0.51) POLBKMT2AMLYCDFDFT1ALDH1A1
SCHEMBL1710582 0.83 FDFT1 (0.41) POLBMGLLMLYCDFDFT1MTNR1A
SCHEMBL1710913 0.80 POLB (0.41) POLBFDFT1MTNR1AMTNR1B
SCHEMBL1725854 0.78 POLB (0.37) POLBMLYCDFDFT1ALDH1A1SMN1; SMN2
SCHEMBL1710806 0.77 POLB (0.40) POLBMEN1KMT2AMLYCDFDFT1
SCHEMBL1722660 0.76 HTR6 (0.49) TBXA2RMGLLCYP4F2CYP4A11CA2
SCHEMBL1710474 0.76 MTNR1A (0.45) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL610624 0.74 KCNH2 (0.47) POLBFDFT1CYP4F2CYP4A11MTNR1A
SCHEMBL3134457 0.74 POLB (0.49) POLBMEN1KMT2AMLYCDFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP 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 POLB 3064/4885MEN1 4678/4885KMT2A 2843/4885

“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.