SCHEMBL1710573

SCHEMBL1710573

O=C(NCCCc1cccc([S+]([O-])CC2CCCCC2)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
POLB P06746 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
FDFT1 P37268 1/20 0.38
EPHX2 P34913 3/20 0.37
KMT2A Q03164 2/20 0.35
MLYCD O95822 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1710915 0.78 FDFT1 (0.40) EPHX1POLBFDFT1KMT2AMLYCD
SCHEMBL13559391 0.77 EPHX1 (0.45) EPHX1POLBFDFT1EPHX2KMT2A
SCHEMBL2208238 0.77 ACACB (0.49) FDFT1
SCHEMBL3389932 0.77 ALDH1A1 (0.39) EPHX1POLBHDAC6EPHX2KMT2A
SCHEMBL3389935 0.77 ALDH1A1 (0.39) EPHX1POLBHDAC6EPHX2KMT2A
SCHEMBL3385701 0.77 OPRM1 (0.36)
SCHEMBL3385937 0.76 ALDH1A1 (0.37) HDAC6EPHX2KMT2AMLYCDALDH1A1
SCHEMBL3385943 0.76 ALDH1A1 (0.37) HDAC6EPHX2KMT2AMLYCDALDH1A1
SCHEMBL3385948 0.75 OPRM1 (0.35)
SCHEMBL613936 0.74 LMNA (0.60) EPHX1HDAC6KMT2AHPGDSMN1; 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 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 EPHX1 3213/4885POLB 3064/4885HDAC6 250/4885

“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.