SCHEMBL13610783

SCHEMBL13610783

CC(C)(C)C(=O)c1cnc(NCC(=O)O)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.51
PI4KB Q9UBF8 1/20 0.43
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 2/20 0.38
TMPRSS15 P98073 2/20 0.36
MAPT P10636 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.35

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
SCHEMBL13610837 0.82 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL13610797 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL13610909 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL13543136 0.76 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL15340933 0.72 PTGS2 (0.47) SMN1; SMN2KDM4EPI4KBCCNE1CDK2
SCHEMBL12469715 0.70 PTGS2 (0.40) ALDH1A1KDM4EPI4KBPTGS2MAPT
Hydrochloric Acid SCHEMBL21229051 0.70 PTGS2 (0.40) SMN1; SMN2ALDH1A1KDM4ECCNE1CDK2
SCHEMBL24650993 0.70 HCAR2 (0.62) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL17773175 0.70 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDHTT
SCHEMBL16113553 0.69 HCAR2 (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDCCNE1

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 2 patents. 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
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 SMN1; SMN2 2847/4885ALDH1A1 2368/4885KDM4E 2974/4885

“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.