Sugi Predict

Sugi Predict / Compounds / SCHEMBL2851580

SCHEMBL2851580

SCHEMBL2851580

CC1(C)OC(=O)c2ccc(N(Cc3ccc(Br)cc3)C(=O)CCC3CCCC3)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.36
▸ CHRM2 P08172 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR5A P47898 2/20 0.34
▸ F2 P00734 3/20 0.34
▸ F10 P00742 3/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL2861742 0.90 SLC6A4 (0.37) HTR5AF2F10SLC6A4ALDH1A1
SCHEMBL13711758 0.89 SLC6A4 (0.41) HTR5ASLC6A4ALDH1A1HTR1ADRD2
SCHEMBL13711732 0.89 LTB4R2 (0.40) STAT3MAPK1HTR5ASLC6A4ALDH1A1
SCHEMBL13711664 0.88 NR1H4 (0.41) STAT3HTR5AF2F10SLC6A4
SCHEMBL2851001 0.87 LTB4R2 (0.39) STAT3CHRM2CHRM1CHRM3CYP1A2
SCHEMBL2854916 0.87 CNR2 (0.36) STAT3MAPK1HTR5AF2F10
SCHEMBL4457062 0.87 SLC6A4 (0.35) HTR5AF2F10SLC6A4ALDH1A1
SCHEMBL13711662 0.87 SLC6A4 (0.41) HTR5ASLC6A4HTR1ADRD2DRD4
SCHEMBL2857283 0.86 PTGES (0.39) STAT3HTR5AF2F10SLC6A4
SCHEMBL2861740 0.86 SLC6A4 (0.34) HTR5AF2F10SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 — — EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 — — US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 — — US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 — — US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 — — US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 — — US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 — — 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS STAT3 2684/4885CHRM2 2676/4885CHRM1 2121/4885

“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.