SCHEMBL7678562

SCHEMBL7678562

CCOC(=O)Cc1cc(CC)c(C(=O)c2ccc(Cl)cc2)n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.57
ABCB11 O95342 1/20 0.57
LMNA P02545 4/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.40
CXCR3 P49682 1/20 0.39
CFTR P13569 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 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
SCHEMBL7675690 0.89 PTGS2 (0.73) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL11401313 0.89 PTGS2 (0.55) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL11713094 0.87 PTGS2 (0.56) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL7682901 0.87 PTGS2 (0.44) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL10879085 0.86 PTGS2 (0.55) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL11194335 0.86 PTGS2 (0.55) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL7681228 0.85 PTGS2 (0.74) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL8605749 0.85 ABCB11 (0.59) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL11613193 0.81 PTGS2 (0.68) PTGS2ABCB11LMNATSHRSMN1; SMN2
SCHEMBL7674536 0.79 PTGS2 (0.57) PTGS2ABCB11LMNATSHRSMN1; SMN2

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 8 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-5721347-A Esters and amides of substituted pyrrole acetic acids CELL PATHWAYS, INC. (US) 1998-02-24 US disclosed
EP-0485157-A2 Esters and amides of substituted pyrrole acetic acids FGN, INC. (US) 1992-05-13 EP disclosed
US-4070368-A ACYLATION, DECARBOXYLATION MCNEIL LABORATORIES, INCORPORATED (US) 1978-01-24 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 PTGS2 887/4885ABCB11 2317/4885LMNA 2230/4885

“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.