SCHEMBL7674517

SCHEMBL7674517

O=C(O)Cc1ccc(C(=O)c2ccc(F)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.43
▸ SRD5A2 P31213 3/20 0.40
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ BAD Q92934 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL7678571 0.85 SRD5A2 (0.46) SRD5A2NPC1RAB9AALDH1A1HPGD
SCHEMBL1764282 0.84 ALDH1A1 (0.47) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL8729528 0.83 LMNA (0.47) SRD5A2PTPN1NPC1RAB9AHPGD
SCHEMBL7676938 0.81 MAPT (0.52) SRD5A2CES2CES1RAB9ACA1
SCHEMBL7678700 0.78 LMNA (0.43) LTA4HCES2CES1PTPN1NPC1
SCHEMBL6568279 0.75 KDM4E (0.40) SRD5A2CA2ALDH1A1HPGDHSD17B10
SCHEMBL10911413 0.74 TSHR (0.47) SRD5A2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL7678876 0.74 HPGD (0.41) SRD5A2ALDH1A1HPGDPTGDR2
SCHEMBL8336761 0.73 GRM5 (0.39) LTA4HSRD5A2PTGDR2
SCHEMBL10914752 0.73 GRM5 (0.39) LTA4HSRD5A2CES2CES1

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 LTA4H 1286/4885SRD5A2 223/4885CES2 4003/4885

“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.

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