SCHEMBL4015377

SCHEMBL4015377

CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
TUBB P07437 2/20 0.54
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLA1 P09884 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CDK1 P06493 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL27686204 0.89 P2RX1 (0.54) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL10305317 0.86 DNMT3A (0.52) CYP1A2CYP2C19HTTSMN1; SMN2CDK1
SCHEMBL23675446 0.82 TUBB (0.72) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL4019571 0.81 TUBB (0.63) P2RX1TMPRSS4TUBBHTTPOLA1
SCHEMBL26097052 0.80 HPGD (0.63) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL10305331 0.80 ADRB1 (0.42) P2RX1TMPRSS4MEN1KMT2AHTT
SCHEMBL13812639 0.77 P2RX1 (0.66) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL13236587 0.77 TUBB (0.75) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL30100461 0.77 TUBB (0.75) P2RX1TMPRSS4TUBBCYP1A2CYP2C19
SCHEMBL4020932 0.77 AKR1C3 (0.46) CYP1A2CYP2C19MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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 (2 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 P2RX1 110/4885TMPRSS4 4748/4885TUBB 4203/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 P2RX1 37/4885TMPRSS4 632/4885TUBB 2267/4885

“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.