SCHEMBL13623669

SCHEMBL13623669

CCC(=O)c1cccnc1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAPRT Q6XQN6 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL29230009 0.83 NAPRT (0.43) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL2632669 0.81 P2RX7 (0.61) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL13545133 0.81 P2RX7 (0.43) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL27951997 0.80 KDM4E (0.45) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL2409306 0.79 NAPRT (0.61) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL8237046 0.79 SMN1; SMN2 (0.61) TDP1ALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL13545172 0.79 NAPRT (0.61) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL27593575 0.79 ALDH1A1 (0.43) P2RX7KDM4ETDP1ALDH1A1HPGD
SCHEMBL30267808 0.79 CHIA (0.55) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9359025 0.79 KEAP1 (0.48) ALDH1A1HPGDHSD17B10MAPTL3MBTL1

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 PDK2 1606/4885P2RX7 620/4885KDM4E 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.