Sugi Predict

Sugi Predict / Compounds / SCHEMBL6413065

SCHEMBL6413065

SCHEMBL6413065

Cc1cc(CN(C)C(=O)C=C(O)C(=O)O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ EGFR P00533 2/20 0.35
▸ ITK Q08881 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RIPK1 Q13546 2/20 0.34
▸ DAO P14920 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ GRM3 Q14832 1/20 0.33

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
SCHEMBL6413062 1.00 MMP13 (0.38) MMP13MAOAMAOBHDAC3HDAC1
SCHEMBL6417149 0.89 RIPK1 (0.44) MAOAMAOBKMT2AMEN1TDP1
SCHEMBL6417152 0.89 RIPK1 (0.44) MAOAMAOBKMT2AMEN1TDP1
SCHEMBL6412486 0.87 EGFR (0.37) EGFRITKKMT2AMEN1AOC3
SCHEMBL6412491 0.87 EGFR (0.37) EGFRITKKMT2AMEN1AOC3
SCHEMBL6412037 0.85 CYP1A2 (0.44) MAOAMAOBHDAC3KMT2AMEN1
SCHEMBL6412044 0.85 CYP1A2 (0.44) MAOAMAOBHDAC3KMT2AMEN1
SCHEMBL6412554 0.85 USP30 (0.39) MAOAMAOBALDH1A1AOC3GRM2
SCHEMBL6412551 0.85 USP30 (0.39) MAOAMAOBALDH1A1AOC3GRM2
SCHEMBL6417822 0.83 TAS2R14 (0.45) ALDH1A1

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 7 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
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 — — EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 — — 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 (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 MMP13 2545/4885MAOA 853/4885MAOB 721/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MMP13 3070/4885MAOA 2598/4885MAOB 1871/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MMP13 3070/4885MAOA 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.