SCHEMBL1710641

SCHEMBL1710641

CCC(O)(CC)CSc1cccc(C=CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC6A19 Q695T7 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HTT P42858 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL1710636 1.00 ALDH1A1 (0.35) ALDH1A1GAAKDM4ESLC6A19MTNR1A
SCHEMBL3390377 0.84 CYSLTR2 (0.40) ALDH1A1GAAKDM4EMTNR1AMTNR1B
SCHEMBL3390368 0.84 CYSLTR2 (0.40) ALDH1A1GAAKDM4EMTNR1AMTNR1B
SCHEMBL3387918 0.82 GAA (0.34) ALDH1A1GAAKDM4ESLC6A19MTNR1A
SCHEMBL3387914 0.82 GAA (0.34) ALDH1A1GAAKDM4ESLC6A19MTNR1A
SCHEMBL3390928 0.80 ALDH1A1 (0.40) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL3390932 0.80 ALDH1A1 (0.40) ALDH1A1MEN1MAPTPKMKMT2A
SCHEMBL3390683 0.79 ITGB2 (0.39) ALDH1A1KDM4EMTNR1AMTNR1BMEN1
SCHEMBL3390688 0.79 ITGB2 (0.39) ALDH1A1KDM4EMTNR1AMTNR1BMEN1
SCHEMBL3389699 0.79 HPGD (0.41) ALDH1A1GAAKDM4EMTNR1AMTNR1B

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 ALDH1A1 314/4885GAA 456/4885KDM4E 3778/4885

“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.