SCHEMBL24310073

SCHEMBL24310073

CC(C)(C)OC(=O)NCCCC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
MAOB P27338 1/20 0.53
NR4A2 P43354 2/20 0.52
SMPD1 P17405 1/20 0.51
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
SRD5A2 P31213 1/20 0.47
GUSB P08236 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP19A1 P11511 1/20 0.45
FAAH O00519 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL32665611 0.86 SMPD1 (0.60) PTPN1MAOBNR4A2SMPD1NR4A1
SCHEMBL7800949 0.85 HDAC3 (0.48) MAOBNR4A2SPHK2SPHK1SIGMAR1
SCHEMBL3569604 0.84 MAPT (0.48) MEN1KMT2A
SCHEMBL7281204 0.84 CYP2D6 (0.52) MAOBSIGMAR1
SCHEMBL1929771 0.83 SIGMAR1 (0.52) MEN1KMT2ASIGMAR1
SCHEMBL67569 0.82 CYP2D6 (0.58) MAOBNR4A2SPHK2SPHK1
SCHEMBL31506266 0.82 CYP2D6 (0.58) MAOBNR4A2SPHK2SPHK1
SCHEMBL483716 0.81 PTPN1 (0.53) PTPN1MAOBNR4A2SMPD1NR4A1
SCHEMBL2834205 0.81 GPR132 (0.55) PTPN1MAOBNR4A2
SCHEMBL3079676 0.80 CA1 (0.44) SIGMAR1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PTPN1 1627/4885MAOB 4384/4885NR4A2 1553/4885

“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.