SCHEMBL5774020

SCHEMBL5774020

CC(C)OP(=O)(Cc1ccc(NC(=O)CCc2cnoc2-c2ccc(F)cc2)cc1)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCHR1 Q99705 1/20 0.39
TNIK Q9UKE5 5/20 0.38
MAP4K4 O95819 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35

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
SCHEMBL5770235 0.91 MCHR1 (0.40) MAPTMEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL5771359 0.89 MEN1 (0.40) MAPTMEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL5772294 0.86 ENPP2 (0.40) MAPTMEN1KMT2AMCHR1LMNA
SCHEMBL5777412 0.84 KMT2A (0.40) MAPTMEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL5774956 0.83 MCHR1 (0.42) MAPTMEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL5775518 0.82 MAPT (0.43) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5773274 0.81 KMT2A (0.46) MAPTMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5773537 0.81 MAPT (0.43) MAPTMEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL5770775 0.81 MAPT (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL5772907 0.81 TP53 (0.49) MAPTMCHR1SMN1; SMN2CNR2LMNA

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885MEN1 2811/4885KMT2A 3907/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885MEN1 2072/4885KMT2A 2906/4885

“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.