SCHEMBL13610843

SCHEMBL13610843

CC(C)(C)NCCNc1ncc(C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
FFAR2 O15552 1/20 0.39
MAPK14 Q16539 5/20 0.39
SCD O00767 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
TMPRSS15 P98073 3/20 0.38
LCK P06239 2/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
HTT P42858 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
SCHEMBL13623803 0.84 HCAR2 (0.45) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4299723 0.82 BCHE (0.43) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4252915 0.80 HCAR2 (0.46) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL16113553 0.78 HCAR2 (0.52) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL21552094 0.77 TMPRSS15 (0.58) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL24035968 0.74 MAPK14 (0.42) HCAR2FFAR2MAPK14NPC1CYP1A2
SCHEMBL14047607 0.74 ATG4B (0.39) HCAR2SMN1; SMN2KDM4EFFAR2MAPK14
SCHEMBL25409454 0.74 TMPRSS15 (0.59) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4249606 0.73 HCAR2 (0.41) HCAR2ALDH1A1KDM4EFFAR2MAPK14
SCHEMBL4256153 0.72 RAB9A (0.65) HCAR2ALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 HCAR2 58/4885ALDH1A1 2368/4885SMN1; SMN2 2847/4885

“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.