Sugi Predict

Sugi Predict / Compounds / SCHEMBL7674936

SCHEMBL7674936

SCHEMBL7674936

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.43
▸ ABCB11 O95342 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GRIA2 P42262 1/20 0.36
▸ GRIA4 P48058 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ KDM2B Q8NHM5 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ DNTT P04053 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
SCHEMBL7678696 0.91 ABCB11 (0.38) SLC6A3ABCB11PTGS2ALDH1A1LMNA
SCHEMBL7675547 0.86 PTGS2 (0.42) SLC6A3ABCB11PTGS2ALDH1A1LMNA
SCHEMBL7680774 0.85 ABCB11 (0.57) ABCB11PTGS2ALDH1A1LMNACYP1A2
SCHEMBL7674658 0.82 PTGS2 (0.41) ABCB11PTGS2ALDH1A1LMNACYP1A2
SCHEMBL7680454 0.82 SLC6A4 (0.42) ABCB11PTGS2ALDH1A1LMNACYP1A2
SCHEMBL7680758 0.81 MAPT (0.45) SLC6A3ABCB11PTGS2ALDH1A1LMNA
SCHEMBL7681969 0.81 ABCB11 (0.41) SLC6A3ABCB11PTGS2ALDH1A1LMNA
SCHEMBL7684691 0.79 CYP2C19 (0.46) ALDH1A1CYP1A2TSHRGAAKDM4E
SCHEMBL7680837 0.77 CNR2 (0.40) ABCB11PTGS2ALDH1A1LMNACYP1A2
SCHEMBL7674913 0.76 ABCB11 (0.53) ABCB11PTGS2ALDH1A1LMNACYP1A2

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 SLC6A3 4426/4885ABCB11 2317/4885PTGS2 887/4885

“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.