Sugi Predict

Sugi Predict / Compounds / SCHEMBL7676975

SCHEMBL7676975

SCHEMBL7676975

CC(C(=O)O)c1ccc(C(=O)c2ccc(C#N)cc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP7 P09237 2/20 0.35
▸ MMP9 P14780 2/20 0.35

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
SCHEMBL15641390 0.82 PTGS1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL15641391 0.82 PTGS1 (0.56) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11810218 0.81 PTGS1 (0.41) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678015 0.81 HTT (0.48) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7685006 0.79 HTT (0.54) CA1CA2PTGS1PTGS2MEN1
SCHEMBL7674658 0.77 PTGS2 (0.41) GSK3BCA1CA2PTGS1PTGS2
SCHEMBL15695575 0.75 CXCL8 (0.55) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL7678784 0.75 PTGS2 (0.70) GSK3BCA1CA2CXCL8AKR1B1
SCHEMBL7674823 0.72 HTT (0.44) CXCL8AKR1B1PTGS1PTGS2GLO1
SCHEMBL11091486 0.72 PTGS1 (0.33) CXCL8AKR1B1PTGS1PTGS2GLO1

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 GSK3B 1772/4885CA1 3562/4885CA2 4442/4885

“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.