SCHEMBL13623668

SCHEMBL13623668

CCC(=O)c1ccc(S)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCAR3 P49019 3/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL29505906 0.81 GABRP (0.60) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL10031594 0.81 GABRP (0.60) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL2259011 0.80 HCAR3 (0.40) TDP1SMN1; SMN2HCAR3RAB9AGABRP
SCHEMBL2632670 0.78 HDAC1 (0.56) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL15088738 0.78 MAPT (0.46) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL30004108 0.78 KCNJ1 (0.46) MAPTSMN1; SMN2L3MBTL1HCAR3RAB9A
SCHEMBL8184672 0.78 KCNJ1 (0.46) MAPTSMN1; SMN2L3MBTL1HCAR3RAB9A
SCHEMBL1877325 0.77 NAPRT (0.60) MAPTSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL567789 0.77 MAPT (0.44) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL10066762 0.77 MAPT (0.44) MAPTKDM4ETDP1SMN1; SMN2L3MBTL1

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 MAPT 4286/4885KDM4E 2974/4885TDP1 4059/4885

“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.