SCHEMBL1608952

SCHEMBL1608952

CC(C)(C)N(CC1CC=C(F)CC1)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL4285468 0.92 SLC6A2 (0.31)
SCHEMBL2589725 0.78 CDK9 (0.40)
SCHEMBL562058 0.75 MEN1 (0.31) MEN1HTTKMT2AL3MBTL1
SCHEMBL16292529 0.74 ALOX5 (0.39) MEN1HTTKMT2AL3MBTL1
SCHEMBL1434883 0.72 CES2 (0.33) CES2
SCHEMBL1983631 0.70
SCHEMBL14733413 0.70
SCHEMBL343584 0.70 ALOX5 (0.35) MEN1HTTKMT2AL3MBTL1
SCHEMBL343583 0.70 ALOX5 (0.35) MEN1HTTKMT2AL3MBTL1
SCHEMBL1498383 0.68 ALOX5 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 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 (3 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CES2 1311/4885MEN1 732/4885HTT 2498/4885
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 CES2 1602/4885MEN1 1668/4885HTT 1515/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 CES2 2263/4885MEN1 3468/4885HTT 3020/4885

“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.