SCHEMBL7684715

SCHEMBL7684715

CCOC(=O)c1c(CC)c(C(=O)c2cccc(Cl)c2)n(C)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
ELANE P08246 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 3/20 0.41
ABCB11 O95342 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
OXER1 Q8TDS5 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL7683947 0.87 PTGS2 (0.50) LMNAKMT2AGABRA2GABRB2ABCB11
SCHEMBL11609918 0.81 ALDH1A1 (0.41) LMNATP53ALOX5SMN1; SMN2ALDH1A1
SCHEMBL7677988 0.79 PTGS2 (0.42) LMNAKMT2AGABRA2GABRB2ABCB11
SCHEMBL11068597 0.78 ALOX5 (0.47) LMNAMEN1KMT2AMAPK1GABRA2
SCHEMBL11187034 0.76 MAPT (0.39) LMNAMEN1KMT2AABCB11PTGS2
SCHEMBL11020189 0.76 KMT2A (0.43) LMNAMEN1KMT2AMAPK1GABRA2
SCHEMBL7685136 0.76 PTGS2 (0.53) LMNAABCB11PTGS2SMN1; SMN2ALDH1A1
SCHEMBL11064982 0.74 ALOX5 (0.46) LMNAMEN1KMT2AMAPK1GABRA2
SCHEMBL7684797 0.73 PTGS2 (0.46) LMNAMEN1KMT2AABCB11PTGS2
SCHEMBL8581144 0.72 USP2 (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDMAPT

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 LMNA 2230/4885MEN1 180/4885KMT2A 514/4885

“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.