SCHEMBL7678013

SCHEMBL7678013

Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c(CC(=O)O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 3/20 0.43
ABCB11 O95342 1/20 0.43
SRD5A2 P31213 1/20 0.42
NR4A1 P22736 1/20 0.41
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 2/20 0.38
ABCB1 P08183 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
THRB P10828 1/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7678172 0.87 HPGD (0.41) HPGDMAPTSRD5A2RAB9AALDH1A1
SCHEMBL7678233 0.87 MEN1 (0.45) HPGDMAPTPTGS2SRD5A2NPSR1
SCHEMBL8604431 0.80 MAPT (0.46) HPGDMAPTPTGS2ABCB11SRD5A2
SCHEMBL11201124 0.79 HPGD (0.43) HPGDMAPTPTGS2ABCB11SRD5A2
SCHEMBL11196344 0.79 HPGD (0.43) HPGDMAPTPTGS2ABCB11SRD5A2
SCHEMBL11201468 0.77 MAPT (0.41) HPGDMAPTPTGS2ABCB11SRD5A2
SCHEMBL7682026 0.76 ALDH1A1 (0.55) HPGDMAPTSRD5A2TSHRNPSR1
SCHEMBL8606636 0.76 ALDH1A1 (0.46) HPGDMAPTPTGS2SRD5A2PTGS1
SCHEMBL7678060 0.75 RAB9A (0.45) HPGDMAPTTSHRNPSR1RAB9A
SCHEMBL7678281 0.74 ALDH1A1 (0.43) HPGDMAPTPTGS2PTGS1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067370-B1 PROCESS FOR THE PREPARATION OF ZOMEPIRAC AND RELATED COMPOUNDS MERCK & CO. INC. (US) 1986-03-19 EP claimed
EP-0067370-A2 Process for the preparation of zomepirac and related compounds MERCK & CO. INC. (US) 1982-12-22 EP claimed
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-4374997-A Process for the preparation of zomepirac and related compounds MERCK & CO., INC. (US) 1983-02-22 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 HPGD 363/4885MAPT 4570/4885PTGS2 887/4885

“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.