SCHEMBL7678111

SCHEMBL7678111

Cc1c2c(n(C)c1C(=O)c1ccc(C(F)(F)F)cc1)CC(=O)O2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
MCHR1 Q99705 1/20 0.33
EPHX2 P34913 1/20 0.33
BCL2L1 Q07817 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
SCHEMBL7674670 0.84 ABCB11 (0.41) SRD5A2CES2CES1MAPTHPGD
SCHEMBL7678124 0.84 LMNA (0.38) MAPTHPGDKMT2ARAB9ASMN1; SMN2
SCHEMBL7678461 0.77 TSHR (0.47) MAPTMEN1TSHRKMT2AGAA
SCHEMBL7674669 0.76 BACE1 (0.39) SRD5A2CES2CES1TRPV1BACE1
SCHEMBL7678332 0.75 SRD5A2 (0.39) SRD5A2CES2CES1MAPTMEN1
SCHEMBL7676957 0.71 BACE1 (0.35) SRD5A2CES2CES1HRH3BACE1
SCHEMBL8401815 0.70 SRD5A2 (0.45) SRD5A2CES2CES1MEN1HPGD
SCHEMBL8048118 0.70 PTGS2 (0.51) TSHRSMN1; SMN2
SCHEMBL7678566 0.69 HTT (0.40) SRD5A2MAPTMEN1HPGDTSHR
SCHEMBL7677090 0.69 NOD2 (0.34) SRD5A2HRH3BACE1KDM2B

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 SRD5A2 223/4885CES2 4003/4885CES1 2085/4885

“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.