SCHEMBL4265384

SCHEMBL4265384

CCCCCCCCc1ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA4 P22748 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
S1PR1 P21453 1/20 0.54
THRA P10827 3/20 0.53
THRB P10828 3/20 0.53
POLB P06746 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49
SPHK1 Q9NYA1 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7768642 1.00 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL1197762 1.00 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL8772754 1.00 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL4275036 0.99 S1PR1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL7511976 0.96 ICMT (0.54) CA1CA2CA4CA12CA9
Butilfenin SCHEMBL487062 0.88 POLB (0.62) CA1CA2CA12CA9S1PR1
SCHEMBL15499792 0.82 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.81 CA1 (0.66) CA1CA2CA4CA12CA9
SCHEMBL13523716 0.81 CA1 (0.59) CA1CA2CA4CA12CA9
SCHEMBL6047697 0.80 CA1 (0.64) CA1CA2CA4CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605146-B2 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2009-10-20 US claimed
EP-1199312-A2 Process for producing an amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP claimed
EP-0603403-B1 NOVEL CHELATING AGENT, COMPLEX COMPOUND COMPOSED OF SAID AGENT AND METALLIC ATOM, AND DIAGNOSTIC AGENT CONTAINING SAID COMPOUND GREEN CROSS CORP (JP) 1997-10-15 EP claimed
US-5453264-A Chelating agent, complex compound of said chelating agent and metallic atom, and diagnostic agent comprising same THE GREEN CROSS CORPORATION (JP) 1995-09-26 US claimed
EP-0603403-A1 NOVEL CHELATING AGENT, COMPLEX COMPOUND COMPOSED OF SAID AGENT AND METALLIC ATOM, AND DIAGNOSTIC AGENT CONTAINING SAID COMPOUND THE GREEN CROSS CORPORATION (JP) 1994-06-29 EP claimed
US-7605146-B2 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2009-10-20 US disclosed
EP-1199312-B1 Process for producing an amide compound SUMITOMO CHEMICAL CO (JP) 2004-07-21 EP disclosed
US-20020077456-A1 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2002-06-20 US disclosed
EP-1199312-A2 Process for producing an amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-24 EP disclosed
EP-0603403-B2 NOVEL CHELATING AGENT, COMPLEX COMPOUND COMPOSED OF SAID AGENT AND METALLIC ATOM, AND DIAGNOSTIC AGENT CONTAINING SAID COMPOUND WELFIDE CORP (JP) 2001-06-27 EP disclosed
EP-0603403-B1 NOVEL CHELATING AGENT, COMPLEX COMPOUND COMPOSED OF SAID AGENT AND METALLIC ATOM, AND DIAGNOSTIC AGENT CONTAINING SAID COMPOUND GREEN CROSS CORP (JP) 1997-10-15 EP disclosed
US-5575986-A Chelating agent, complex compound of said chelating agent and metallic atom, and diagnostic agent comprising same THE GREEN CROSS CORPORATION (JP) 1996-11-19 US disclosed
US-5453264-A Chelating agent, complex compound of said chelating agent and metallic atom, and diagnostic agent comprising same THE GREEN CROSS CORPORATION (JP) 1995-09-26 US disclosed
EP-0603403-A1 NOVEL CHELATING AGENT, COMPLEX COMPOUND COMPOSED OF SAID AGENT AND METALLIC ATOM, AND DIAGNOSTIC AGENT CONTAINING SAID COMPOUND THE GREEN CROSS CORPORATION (JP) 1994-06-29 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-20020077456-A1 Process for producing an amide compound NAAA, ACMSD, CPS1 CA1 286/4885CA2 1391/4885CA4 166/4885

“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.