Sugi Predict

Sugi Predict / Compounds / SCHEMBL7678257

SCHEMBL7678257

SCHEMBL7678257

CCOC(=O)Cc1cc(C)c(C(=O)c2cc(Br)cc(Br)c2Br)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TNF P01375 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL11614668 0.90 ABCB11 (0.37) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL7678318 0.85 PTGS2 (0.53) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL11614894 0.84 ABCB11 (0.41) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL7682350 0.78 LMNA (0.33) ABCB11PTGS2LMNASMN1; SMN2MAPT
SCHEMBL7677854 0.78 ABCB11 (0.44) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL11062777 0.76 CA12 (0.45) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL6952147 0.74 ABCB11 (0.52) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL10881579 0.74 ABCB11 (0.44) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL7674536 0.74 PTGS2 (0.57) ABCB11PTGS2ALDH1A1LMNATDP1
SCHEMBL7464815 0.74 PTGS2 (0.57) ABCB11PTGS2ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455703-B2 ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION CELL PATHWAYS, INC. 2002-09-24 — — US disclosed
US-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia OSI PHARMACEUTICALS, INC. 2001-12-13 — — US disclosed
US-6160003-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-12-12 — — US disclosed
US-5939417-A 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia CELL PATHWAYS INC (US) 1999-08-17 — — US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — 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-20010051651-A1 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia MALT1, VHL, CDKN1A ABCB11 2317/4885PTGS2 887/4885ALDH1A1 208/4885

“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.