SCHEMBL13610816

SCHEMBL13610816

CC(C)(C)C(=O)c1cccnc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NAPRT Q6XQN6 2/20 0.39
LMNA P02545 2/20 0.39
P2RX7 Q99572 1/20 0.39
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MYC P01106 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL2625484 0.79 P2RX7 (0.56) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL13543163 0.79 KDM4E (0.42) KDM4ETDP1ALDH1A1CYP3A4MAPT
2-Mercaptonicotinic Acid SCHEMBL29181672 0.79 KDM4E (0.61) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL27951997 0.79 KDM4E (0.45) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL13542934 0.78 NAPRT (0.61) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL8828593 0.78 LMNA (0.61) TDP1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL13543168 0.78 NAPRT (0.61) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL28555960 0.77 POLB (0.44) KDM4ETDP1ALDH1A1CYP3A4MAPT
2-Mercaptonicotinic Acid SCHEMBL3070055 0.77 KDM4E (0.59) KDM4ETDP1ALDH1A1CYP3A4MAPT
2-Mercaptonicotinic Acid SCHEMBL29382089 0.76 KDM4E (0.63) KDM4ETDP1ALDH1A1CYP3A4MAPT

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 KDM4E 2974/4885TDP1 4059/4885ALDH1A1 2368/4885

“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.