SCHEMBL8528146

SCHEMBL8528146

CCC(=O)Oc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA1 P00915 4/20 0.50
GLA P06280 2/20 0.50
KMT2A Q03164 2/20 0.50
NAMPT P43490 1/20 0.49
GAA P10253 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
ESR1 P03372 1/20 0.44
RECQL P46063 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL18360424 0.90 CA2 (0.51) CA2CA1GLAKMT2ANAMPT
SCHEMBL11687632 0.86 NPC1 (0.56) CA2CA1GLAKMT2ANAMPT
SCHEMBL8139001 0.86 L3MBTL1 (0.49) CA2CA1GLAKMT2ANAMPT
SCHEMBL27741033 0.83 ACACB (0.59) CA2CA1GLAKMT2ANAMPT
SCHEMBL8757522 0.83 GLA (0.67) CA2CA1GLAKMT2ANAMPT
SCHEMBL27741035 0.83 CA2 (0.56) CA2CA1GLAKMT2ANAMPT
SCHEMBL13598882 0.83 RAB9A (0.50) CA2CA1GLAKMT2ANAMPT
SCHEMBL8757517 0.82 CA2 (0.53) CA2CA1GLAKMT2ANAMPT
SCHEMBL9975933 0.81 SMN1; SMN2 (0.67) GLAKMT2ANPC1RAB9AHIF1A
SCHEMBL19003451 0.81 ACACB (0.61) CA2CA1GLAKMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SEIKAGAKU CORPORATION (JP) 2017-01-05 US disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO 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-20170001948-A1 DIAMINE CROSSLINKING AGENTS, CROSSLINKED ACIDIC POLYSACCHARIDES AND MEDICAL MATERIALS SAT1, ACMSD, ADM2 CA2 1986/4885CA1 169/4885GLA 563/4885

“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.