SCHEMBL3383732

SCHEMBL3383732

O=C(NCC=Cc1cccc(SCC2(O)CCCCC2)c1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3383726 1.00 ALDH1A1 (0.32) ALDH1A1MAPK1TDP1LMNAKDM4E
SCHEMBL13400246 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL613405 0.80 CYP4F2 (0.38) ALDH1A1
SCHEMBL3131596 0.80 CYP1A2 (0.37) LMNA
SCHEMBL3131602 0.80 CYP1A2 (0.37) LMNA
SCHEMBL613406 0.80 CYP4F2 (0.38) ALDH1A1
SCHEMBL4569051 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4569048 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13400308 0.79 AR (0.38) ALDH1A1KDM4E
SCHEMBL1726145 0.79 RORC (0.35)

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 2 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
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 ALDH1A1 314/4885MAPK1 4602/4885TDP1 2438/4885

“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.