SCHEMBL13610822

SCHEMBL13610822

CC(C)(C)C(=O)c1ccc(S)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
PGR P06401 1/20 0.36
AR P10275 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
SCHEMBL10001157 0.81 GABRP (0.60) NNMTSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL2625485 0.78 HDAC1 (0.56) SMN1; SMN2HDAC1HDAC6LMNACYP1A2
SCHEMBL13543193 0.78 P4HA1 (0.36) NNMTSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL23682863 0.78 P4HTM (0.48) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL8184672 0.78 KCNJ1 (0.46) NNMTSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL30004108 0.78 KCNJ1 (0.46) NNMTSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL10034527 0.77 CLK1 (0.39) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13028710 0.77 NAPRT (0.60) SMN1; SMN2LMNATDP1ALDH1A1NAPRT
SCHEMBL13875897 0.77 KCNQ3 (0.41) P4HA1P4HTMMIFHDAC1HDAC6
6-Mercaptonicotinic Acid SCHEMBL796849 0.75 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2

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 NNMT 2148/4885SMN1; SMN2 2847/4885GABRP 213/4885

“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.