SCHEMBL4288196

SCHEMBL4288196

Cc1cc(C(=O)O)nc(S)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
HIF1A Q16665 1/20 0.45
GPR35 Q9HC97 2/20 0.41
HCAR2 Q8TDS4 2/20 0.39
DAO P14920 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 5/20 0.37
RBP4 P02753 2/20 0.37
ACMSD Q8TDX5 1/20 0.37
KMO O15229 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 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
SCHEMBL14231220 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
Bicarbonate SCHEMBL11792002 0.82 KDM4E (0.44) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL13651832 0.80 ALOX15 (0.50) SMN1; SMN2ALDH1A1ALOX15TSHRHIF1A
SCHEMBL16578051 0.79 KDM4E (0.48) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL1760306 0.78 KMO (0.49) SMN1; SMN2ALDH1A1MAPK1ALOX15TSHR
SCHEMBL11809949 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL8626403 0.77 ALOX15 (0.46) SMN1; SMN2ALDH1A1ALOX15TSHRHIF1A
SCHEMBL13769258 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPK1ALOX15TSHR
SCHEMBL1179028 0.75 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPK1ALOX15TSHR
SCHEMBL2718066 0.75 GAA (0.47) SMN1; SMN2ALDH1A1MAPK1ALOX15TSHR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO claimed
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
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
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 WO 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 2368/4885MAPK1 3433/4885

“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.