SCHEMBL4448435

SCHEMBL4448435

O=C(N/C(=C\c1ccc(C(F)(F)F)nc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MIF P14174 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL4448442 1.00 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4448438 1.00 MRGPRX4 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3050403 0.90 MEN1 (0.42) MRGPRX4ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3343992 0.80 CA12 (0.50) ALDH1A1CYP3A4CYP2C9MIFKMT2A
SCHEMBL3343995 0.80 CA12 (0.50) ALDH1A1CYP3A4CYP2C9MIFKMT2A
SCHEMBL3343985 0.80 CA12 (0.50) ALDH1A1CYP3A4CYP2C9MIFKMT2A
SCHEMBL3346306 0.80 MEN1 (0.53) MIFMEN1KMT2ACA12CA1
SCHEMBL3346312 0.80 MEN1 (0.53) MIFMEN1KMT2ACA12CA1
SCHEMBL3346315 0.80 MEN1 (0.53) MIFMEN1KMT2ACA12CA1
SCHEMBL3343675 0.77 LMNA (0.48) ALDH1A1MIFMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 US disclosed
US-20060264358-A1 Acylated nonadepsipeptides II BAYER HEALTHCARE AG (DE) 2006-11-23 US 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-20060264358-A1 Acylated nonadepsipeptides II VIP, LYPLA2, ENPP2 MRGPRX4 1696/4885ALDH1A1 4570/4885KDM4E 4202/4885

“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.