SCHEMBL4296199

SCHEMBL4296199

CCCCCCCCCCCCCCCCn1c(SCC(=O)O)nc2ccccc21

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.91
ALDH1A1 P00352 6/20 0.81
PTGDR2 Q9Y5Y4 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
LMNA P02545 2/20 0.58
PDPK1 O15530 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TLR8 Q9NR97 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL13610932 0.87 ALDH1A1 (0.81) L3MBTL1ALDH1A1PTGDR2SMN1; SMN2POLB
SCHEMBL4295684 0.87 L3MBTL1 (0.69) L3MBTL1ALDH1A1PTGDR2SMN1; SMN2POLB
SCHEMBL5120272 0.81 PTGDR2 (1.00) L3MBTL1PTGDR2POLBPDPK1MEN1
SCHEMBL5115401 0.81 PTGDR2 (1.00) L3MBTL1PTGDR2POLBPDPK1MEN1
SCHEMBL11887749 0.80 PTGDR2 (0.75) L3MBTL1ALDH1A1PTGDR2MEN1KMT2A
SCHEMBL5107252 0.79 PTGDR2 (1.00) L3MBTL1PTGDR2POLBPDPK1MEN1
SCHEMBL4476411 0.79 ALDH1A1 (0.71) L3MBTL1ALDH1A1POLBCTDSP1LMNA
Hydrochloric Acid SCHEMBL3519020 0.78 ALDH1A1 (0.69) L3MBTL1ALDH1A1POLBCTDSP1LMNA
SCHEMBL5109258 0.78 PTGDR2 (1.00) L3MBTL1PTGDR2POLBPDPK1MEN1
SCHEMBL28026301 0.77 L3MBTL1 (0.69) L3MBTL1ALDH1A1PTGDR2SMN1; SMN2LMNA

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 10 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
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-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR 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-2006041961-A1 ARYLTHIOINDOLE TUBULIN POLYMERIZATION INHIBITORS AND METHODS OF TREATING OR PREVENTING CANCER USING SAME GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTHAND HUMAN SERVICES (US) 2006-04-20 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 L3MBTL1 4358/4885ALDH1A1 2368/4885PTGDR2 437/4885

“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.