SCHEMBL4715692

SCHEMBL4715692

O=C(O)c1ccc2c(c1)C1c3c(Cl)cc(Cl)cc3NC(C(=O)O)C1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 2/20 0.45
▸ GAPDH P04406 1/20 0.45
▸ HSPA8 P11142 1/20 0.45
▸ CDC25B P30305 2/20 0.40
▸ PTPN7 P35236 2/20 0.40
▸ MASP2 O00187 1/20 0.40
▸ CD44 P16070 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MSN P26038 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ EZH2 Q15910 1/20 0.40
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MCL1 Q07820 2/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ POLB P06746 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
SCHEMBL4712011 0.90 GAPDH (0.47) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4712075 0.87 GAPDH (0.45) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4710922 0.87 GAPDH (0.45) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4712095 0.85 HSPA1A (0.47) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4711422 0.84 GAPDH (0.43) HSPA1AGAPDHHSPA8
SCHEMBL4712640 0.84 HSPA1A (0.43) HSPA1AGAPDHHSPA8PTPN7
SCHEMBL6823825 0.81 GAPDH (0.46) HSPA1AGAPDHHSPA8PTPN7MEN1
SCHEMBL4713073 0.79 GAPDH (0.47) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4712217 0.77 GAPDH (0.44) HSPA1AGAPDHHSPA8CDC25BPTPN7
SCHEMBL4712017 0.75 GAPDH (0.44) HSPA1AGAPDHHSPA8PTPN7MEN1

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
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP claimed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US claimed
US-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2004-12-09 — — US claimed
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2004-12-09 — — 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-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRIN3A, GRIK5, GRIN2C HSPA1A 3663/4885GAPDH 1396/4885HSPA8 3516/4885

“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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