SCHEMBL7676873

SCHEMBL7676873

CCC(C(=O)O)c1ccc(C(=O)c2ccc(Cl)cc2)n1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 2/20 0.42
CXCL8 P10145 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTGS1 P23219 1/20 0.42
GLO1 Q04760 1/20 0.42
ABCB11 O95342 1/20 0.41
HRH3 Q9Y5N1 7/20 0.40
SRD5A2 P31213 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
KMT2A Q03164 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
SCHEMBL7681166 0.87 CXCL8 (0.56) PTGS2POLBCXCL8AKR1B1PTGS1
SCHEMBL7682420 0.87 PTGS2 (0.41) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL7678514 0.86 CXCL8 (0.42) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7684575 0.83 PTGS2 (0.38) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL7678015 0.81 HTT (0.48) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL7678249 0.77 PTGS2 (0.44) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL11814670 0.77 HTT (0.47) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL28569713 0.77 CXCL8 (0.53) PTGS2POLBCXCL8AKR1B1PTGS1
SCHEMBL11811925 0.76 TSHR (0.45) HTTPTGS2CXCL8AKR1B1PTGS1
SCHEMBL7678367 0.76 HDAC10 (0.42) PTGS2CXCL8AKR1B1PTGS1GLO1

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 HTT 2603/4885CYP2C9 4712/4885CYP2C19 4174/4885

“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.