SCHEMBL4780175

SCHEMBL4780175

O=C(O)CCCNC(=O)C(O)CCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
MMP8 P22894 3/20 0.56
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL27742525 0.96 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4779824 0.96 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4780592 0.87 CYP2D6 (0.55) LMNACYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4780368 0.83 KMT2A (0.53) LMNACYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7447243 0.80 ATM (0.54) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL3782668 0.77 ATM (0.56) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL3782666 0.77 ATM (0.56) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL11873362 0.75 KDM4A (0.62) CYP2D6CYP2C9CYP2C19KMT2AMMP8
SCHEMBL9829299 0.75 LMNA (0.77) LMNATSHRKMT2AHDAC3MAPK1
SCHEMBL25092652 0.75 CYP2D6 (0.53) LMNATSHRCYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 US disclosed
CN-101291666-A Systemic and intrathecal effects of a novel series of phospholipase a2 inhibitors on hyperalgesia and spinal pge2 release UNIV CALIFORNIA (US) 2008-10-22 CN disclosed
EP-1937247-A2 SYSTEMIC AND INTRATHECAL EFFECTS OF A NOVEL SERIES OF PHOSPHOLIPASE A2 INHIBITORS ON HYPERALGESIA AND SPINAL PGE2 RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-02 EP disclosed
WO-2007022443-A2 SYSTEMIC AND INTRATHECAL EFFECTS OF A NOVEL SERIES OF PHOSPHOLIPASE A2 INHIBITORS ON HYPERALGESIA AND SPINAL PGE2 RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-22 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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A LMNA 2391/4885TSHR 4228/4885CYP2D6 2122/4885

“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.