SCHEMBL6416220

SCHEMBL6416220

CN(Cc1ccc(Cl)c(F)c1)C(=O)C=C1OC(C)(C)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
CXCR3 P49682 4/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AOC3 Q16853 2/20 0.32
MEN1 O00255 1/20 0.32
CENPE Q02224 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL6416216 1.00 USP30 (0.39) USP30CXCR3ALDH1A1KMT2ATDP1
SCHEMBL6420127 0.91 USP30 (0.39) USP30ALDH1A1AOC3
SCHEMBL6420129 0.91 USP30 (0.39) USP30ALDH1A1AOC3
SCHEMBL6077308 0.90 USP30 (0.47) USP30CXCR3ALDH1A1CENPETACR3
SCHEMBL6077313 0.90 USP30 (0.47) USP30CXCR3ALDH1A1CENPETACR3
SCHEMBL6419943 0.90 RIPK1 (0.38) USP30ALDH1A1KMT2ATDP1MEN1
SCHEMBL6419940 0.90 RIPK1 (0.38) USP30ALDH1A1KMT2ATDP1MEN1
SCHEMBL6412584 0.86 ALDH1A1 (0.36) USP30ALDH1A1KMT2ATDP1MEN1
SCHEMBL6412579 0.86 ALDH1A1 (0.36) USP30ALDH1A1KMT2ATDP1MEN1
SCHEMBL6077341 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBAOC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 USP30 4433/4885CXCR3 173/4885ALDH1A1 1020/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 USP30 4348/4885CXCR3 217/4885ALDH1A1 239/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 USP30 4348/4885CXCR3 217/4885ALDH1A1 239/4885

“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.