SCHEMBL6420129

SCHEMBL6420129

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
AOC3 Q16853 3/20 0.34
PIK3CA P42336 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
RIPK1 Q13546 1/20 0.33
TACR1 P25103 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
FFAR2 O15552 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL6420127 1.00 USP30 (0.39) USP30AOC3PIK3CAALDH1A1ERCC1
SCHEMBL6416220 0.91 USP30 (0.39) USP30AOC3ALDH1A1
SCHEMBL6416216 0.91 USP30 (0.39) USP30AOC3ALDH1A1
SCHEMBL6077313 0.90 USP30 (0.47) USP30ALDH1A1
SCHEMBL6077308 0.90 USP30 (0.47) USP30ALDH1A1
SCHEMBL6419943 0.90 RIPK1 (0.38) USP30ALDH1A1RIPK1HSD17B10HTT
SCHEMBL6419940 0.90 RIPK1 (0.38) USP30ALDH1A1RIPK1HSD17B10HTT
SCHEMBL6412579 0.88 ALDH1A1 (0.36) USP30ALDH1A1RIPK1HSD17B10
SCHEMBL6412584 0.88 ALDH1A1 (0.36) USP30ALDH1A1RIPK1HSD17B10
SCHEMBL6077279 0.86 RPA1 (0.33) PIK3CAALDH1A1HSD17B10SLC6A9KCNH2

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 4433/4885AOC3 66/4885PIK3CA 781/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 USP30 4348/4885AOC3 124/4885PIK3CA 732/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 USP30 4348/4885AOC3 124/4885PIK3CA 732/4885

“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.