Sugi Predict

Sugi Predict / Compounds / SCHEMBL13612613

SCHEMBL13612613

SCHEMBL13612613

CCCCN(C)C(C(=O)O)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ GPR84 Q9NQS5 3/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM5A P29375 2/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ ZDHHC20 Q5W0Z9 1/20 0.33
▸ ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL12155316 0.88 ALDH1A1 (0.36) CA2MAPK1CA12CA9ACE2
SCHEMBL24343505 0.82 TSHR (0.33) ACE2ALDH1A1MAPT
SCHEMBL7368617 0.81 ALDH1A1 (0.34) CA2MAPK1CA1ACE2ALDH1A1
SCHEMBL17772985 0.79 ALDH1A1 (0.38) CA2MAPK1ACE2ALDH1A1
SCHEMBL11580999 0.79 ACE2 (0.42) ACE2GPR84FFAR1ALDH1A1KDM5A
SCHEMBL11580997 0.79 ACE2 (0.42) ACE2GPR84FFAR1ALDH1A1KDM5A
SCHEMBL14906356 0.78 ACE2 (0.41) CA2MAPK1ACE2GPR84FFAR1
SCHEMBL13472111 0.78 ALDH1A1 (0.33) ACE2ALDH1A1
SCHEMBL13165156 0.78 CA12 (0.39) CA2MAPK1CA12CA1CA9
SCHEMBL28389417 0.78 ALDH1A1 (0.37) CA2MAPK1ACE2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 — — US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 — — US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 — — US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 — — 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-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA2 764/4885MAPK1 832/4885CA12 1969/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CA2 764/4885MAPK1 832/4885CA12 1969/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CA2 764/4885MAPK1 832/4885CA12 1969/4885

“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.