SCHEMBL6417152

SCHEMBL6417152

CN(Cc1ccc(F)c(F)c1)C(=O)C=C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
AOC3 Q16853 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
SCHEMBL6417149 1.00 RIPK1 (0.44) RIPK1MAOAMAOBHTTKMT2A
SCHEMBL6413065 0.89 MMP13 (0.38) RIPK1MAOAMAOBKMT2AMEN1
SCHEMBL6413062 0.89 MMP13 (0.38) RIPK1MAOAMAOBKMT2AMEN1
SCHEMBL6412551 0.88 USP30 (0.39) MAOAMAOBHTTALDH1A1RAB9A
SCHEMBL6412037 0.88 CYP1A2 (0.44) RIPK1MAOAMAOBHTTKMT2A
SCHEMBL6418668 0.88 USP30 (0.39) HTTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL6418663 0.88 USP30 (0.39) HTTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL6412044 0.88 CYP1A2 (0.44) RIPK1MAOAMAOBHTTKMT2A
SCHEMBL6412554 0.88 USP30 (0.39) MAOAMAOBHTTALDH1A1RAB9A
SCHEMBL6417822 0.85 TAS2R14 (0.45) HTTALDH1A1KDM4E

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 RIPK1 3528/4885MAOA 853/4885MAOB 721/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885MAOA 2598/4885MAOB 1871/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RIPK1 3530/4885MAOA 2598/4885MAOB 1871/4885

“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.