SCHEMBL3309903

SCHEMBL3309903

COCc1ccc(C(N)C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
LTA4H P09960 1/20 0.42
ACACB O00763 1/20 0.41
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
MIF P14174 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
IDO1 P14902 2/20 0.38
KMT2A Q03164 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37
ATM Q13315 1/20 0.37
ADRB3 P13945 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL3314146 0.87 ESR1 (0.40) ESR1ESR2ACACBLMNATP53
SCHEMBL7252180 0.85 KMT2A (0.48) ESR1ESR2CXCR1CXCR2KMT2A
SCHEMBL5327902 0.84 CYP2C9 (0.43) ESR1CXCR1CXCR2LMNATP53
SCHEMBL3313338 0.84 EPHX1 (0.42) ESR1ESR2ACACBCXCR1CXCR2
SCHEMBL13525429 0.84 ESR1 (0.44) ESR1ESR2LTA4HCXCR1CXCR2
SCHEMBL17987495 0.82 ALDH1A1 (0.51) ESR1ESR2LTA4HACACBCXCR1
SCHEMBL1143624 0.82 ESR1 (0.54) ESR1ESR2MIFKMT2A
SCHEMBL1143625 0.82 ESR1 (0.54) ESR1ESR2MIFKMT2A
SCHEMBL2585312 0.82 ESR1 (0.54) ESR1ESR2MIFKMT2A
SCHEMBL8573554 0.81 CYP4A11 (0.53) ESR1ESR2ACACBCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
US-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS COULTON STEVEN 2010-05-06 US disclosed
EP-2121622-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2008092872-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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-20100113545-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC6A5, SLC6A2 ESR1 3130/4885ESR2 3287/4885LTA4H 3151/4885

“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.