Sugi Predict

Sugi Predict / Compounds / SCHEMBL7682007

SCHEMBL7682007

SCHEMBL7682007

Cc1c2c(n(C)c1C(=O)c1ccccc1)C(C)C(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 10/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 5/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLA2G1B P04054 2/20 0.33
▸ ATG4B Q9Y4P1 2/20 0.33
▸ PTK2B Q14289 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL7682237 0.89 ALDH1A1 (0.40) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7675544 0.88 MEN1 (0.36) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7675834 0.87 ABCB11 (0.41) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7678745 0.83 ALDH1A1 (0.36) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7677909 0.83 ALDH1A1 (0.35) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7676758 0.79 NPSR1 (0.40) LMNAALDH1A1GLAHTTNPSR1
SCHEMBL7675526 0.71 ABCB11 (0.42) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL7678067 0.65 CXCL8 (0.41) MAPTLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL7674831 0.63 NPC1 (0.38) MAPTLMNAHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5169856 0.62 ALDH1A1 (0.62) MAPTLMNAHSD17B10ALDH1A1HPGD

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 MAPT 4570/4885LMNA 2230/4885HSD17B10 989/4885

“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.