Sugi Predict

Sugi Predict / Compounds / SCHEMBL7681969

SCHEMBL7681969

SCHEMBL7681969

CCOC(=O)C(C)c1cc(C)c(C(=O)c2ccc(C#N)cc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DNTT P04053 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7674658 0.88 PTGS2 (0.41) ABCB11PTGS2SMN1; SMN2TDP1LMNA
SCHEMBL7681736 0.87 PTGS2 (0.45) ABCB11PTGS2SMN1; SMN2TDP1LMNA
SCHEMBL7680326 0.85 MEN1 (0.44) ABCB11PTGS2SMN1; SMN2LMNAALDH1A1
SCHEMBL7676839 0.84 ABCB11 (0.43) ABCB11PTGS2SMN1; SMN2TDP1LMNA
SCHEMBL7678100 0.84 ABCB11 (0.58) ABCB11PTGS2SMN1; SMN2TDP1LMNA
SCHEMBL7676984 0.81 ABCB11 (0.41) ABCB11PTGS2SMN1; SMN2TDP1LMNA
SCHEMBL7674936 0.81 SLC6A3 (0.43) ABCB11PTGS2DNTTSMN1; SMN2TDP1
SCHEMBL7676850 0.79 CYP2C19 (0.48) SMN1; SMN2LMNATSHRALDH1A1CYP1A2
SCHEMBL7682181 0.79 ALDH1A1 (0.52) ABCB11PTGS2DNTTSMN1; SMN2TDP1
SCHEMBL7684741 0.77 SMN1; SMN2 (0.40) ABCB11PTGS2SMN1; SMN2LMNATSHR

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-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

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 887/4885DNTT 365/4885

“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.