SCHEMBL1722996

SCHEMBL1722996

O=C(NCC#Cc1cccc(SCC2CCCC2)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
HAO1 Q9UJM8 4/20 0.39
AR P10275 3/20 0.38
CTSL P07711 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CTSB P07858 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL1710414 0.99 CTSK (0.40) CTSKHAO1ARCTSLHDAC6
SCHEMBL13400233 0.82 DDB1 (0.48) CTSKHAO1ARCTSL
SCHEMBL3389803 0.79 ALDH1A1 (0.41) HAO1
SCHEMBL1726051 0.78 PPARD (0.35) HAO1MTNR1AMTNR1B
SCHEMBL1710379 0.77 GAA (0.35) HAO1MTNR1AMTNR1B
SCHEMBL613918 0.76 POLB (0.40) CTSKHAO1HDAC6MTNR1AMTNR1B
SCHEMBL1710629 0.75 AR (0.41) CTSKHAO1AR
SCHEMBL1710568 0.75 AR (0.46) CTSKHAO1ARCTSLCTSB
SCHEMBL13400260 0.74 HDAC6 (0.44) CTSKARCTSLHDAC6MTNR1A
SCHEMBL13400308 0.74 AR (0.38) CTSKARCTSLHDAC6CTSB

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 CTSK 2722/4885HAO1 2660/4885AR 4092/4885

“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.