SCHEMBL6258642

SCHEMBL6258642

CCOC(=O)c1ccc(CCCc2ccccc2Sc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
PTPN1 P18031 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL6257577 0.83 PTGER1 (0.54) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL25340300 0.82 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1KMT2AMEN1ALDH1A1
SCHEMBL8703426 0.80 TDP1 (0.57) SMN1; SMN2KMT2ATDP1ALDH1A1MAPT
SCHEMBL20545196 0.79 SMN1; SMN2 (0.55) SMN1; SMN2PTPN1KMT2AMEN1ALDH1A1
SCHEMBL6261303 0.79 LMNA (0.53) SMN1; SMN2PTPN1KMT2AMEN1ALDH1A1
SCHEMBL6258679 0.79 SMN1; SMN2 (0.51) SMN1; SMN2PTPN1KMT2AMEN1ALDH1A1
SCHEMBL20544907 0.77 MEN1 (0.59) SMN1; SMN2KMT2AMEN1TDP1ALDH1A1
SCHEMBL8533562 0.77 SLC6A4 (0.58) SMN1; SMN2KMT2AMEN1TDP1CA12
Oxalic Acid SCHEMBL8530498 0.76 SLC6A4 (0.54) SMN1; SMN2KMT2AMEN1GAALMNA
SCHEMBL6257543 0.75 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1ALDH1A1GAA

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-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 EP disclosed
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 US disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 SMN1; SMN2 2519/4885PTPN1 2924/4885KMT2A 4150/4885

“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.