SCHEMBL3995352

SCHEMBL3995352

COC(=O)CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
DCAF1 Q9Y4B6 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR3 Q99500 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
EGFR P00533 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CTSA P10619 4/20 0.37
RORC P51449 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL390390 0.85 CACNA1B (0.45) MEN1KMT2AS1PR3MAPTTSHR
SCHEMBL392792 0.85 CACNA1B (0.45) MEN1KMT2AS1PR3MAPTTSHR
SCHEMBL390389 0.85 CACNA1B (0.45) MEN1KMT2AS1PR3MAPTTSHR
SCHEMBL16680294 0.82 HTT (0.48) MEN1KMT2AMAPTTSHR
SCHEMBL16680292 0.82 HTT (0.48) MEN1KMT2AMAPTTSHR
SCHEMBL6670889 0.82 SLC1A3 (0.43) DCAF1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL5691963 0.82 FAAH (0.42) DCAF1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL16689353 0.82 CYP26A1 (0.46) APPDCAF1KMT2AS1PR3EGFR
SCHEMBL17697902 0.82 CYP26A1 (0.46) APPDCAF1KMT2AS1PR3EGFR
Hydrochloric Acid SCHEMBL7172712 0.81 SLC1A3 (0.43) DCAF1MEN1KMT2ASLC1A3SLC1A2

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 APP 2586/4885DCAF1 3885/4885MEN1 3738/4885

“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.