SCHEMBL7511976

SCHEMBL7511976

CCCCCCCCc1ccc(NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)cc1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.54
ALB P02768 2/20 0.54
CA1 P00915 7/20 0.52
CA2 P00918 7/20 0.52
CA4 P22748 4/20 0.52
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
S1PR1 P21453 1/20 0.51
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
TRPV1 Q8NER1 1/20 0.50
HDAC1 Q13547 1/20 0.49
POLB P06746 1/20 0.49
CNR2 P34972 1/20 0.47

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
SCHEMBL4265384 0.96 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL8772754 0.96 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL1197762 0.96 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL7768642 0.96 CA1 (0.55) CA1CA2CA4CA12CA9
SCHEMBL4275036 0.95 S1PR1 (0.55) ICMTALBCA1CA2CA4
Butilfenin SCHEMBL487062 0.85 POLB (0.62) CA1CA2CA12CA9S1PR1
SCHEMBL4272357 0.82 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL4268752 0.82 CA1 (0.67) CA1CA2CA4CA12CA9
SCHEMBL15499792 0.79 CA1 (0.75) CA1CA2CA4CA12CA9
SCHEMBL13523700 0.78 CA1 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077456-A1 Process for producing an amide compound NIHON MEDI-PHYSICS COMPANY, LIMITED (JP) 2002-06-20 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-20020077456-A1 Process for producing an amide compound NAAA, ACMSD, CPS1 ICMT 624/4885ALB 503/4885CA1 286/4885

“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.