SCHEMBL5773534

SCHEMBL5773534

CC(C)(c1ccc(NC(=O)CCc2cnoc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 4/20 0.41
HTR2A P28223 2/20 0.39
CHRM1 P11229 1/20 0.39
MCHR1 Q99705 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KLF5 Q13887 1/20 0.38
CNR1 P21554 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 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
SCHEMBL5775978 0.91 MAPT (0.41) MAPTLMNAMEN1KMT2AGLA
SCHEMBL5775516 0.91 MAPT (0.41) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5772904 0.90 TP53 (0.48) MAPTLMNASMN1; SMN2TP53HTR2A
SCHEMBL5770233 0.90 SMN1; SMN2 (0.40) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5770770 0.90 MLYCD (0.41) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL5777020 0.89 MAPT (0.42) MAPTLMNAMEN1KMT2AGLA
SCHEMBL5773273 0.89 MAPT (0.51) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5773488 0.88 MAPT (0.38) MAPTLMNASMN1; SMN2TP53HTR2A
SCHEMBL5774281 0.87 CNR2 (0.39) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5774258 0.87 MAPT (0.41) MAPTLMNAMEN1KMT2AMAPK1

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 4701/4885LMNA 2770/4885MEN1 2811/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885LMNA 2605/4885MEN1 2072/4885

“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.