SCHEMBL5774717

SCHEMBL5774717

OCc1cnoc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
NOTUM Q6P988 5/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HRH1 P35367 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMO O15229 1/20 0.34
NPY5R Q15761 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL5776001 0.88 MEN1 (0.37) MAPTMEN1KMT2APOLB
SCHEMBL5770454 0.86 RPA1 (0.38) NOTUMKMO
SCHEMBL5772390 0.86 KMO (0.36) MEN1KMT2AKMO
SCHEMBL5777173 0.86 NOTUM (0.36) PTPN2PTPN1NOTUMMEN1KMT2A
SCHEMBL5771560 0.85 SIRT2 (0.40) AHRPTPN2PTPN1NOTUMCYP1B1
SCHEMBL5773868 0.80 RXRA (0.53) PTPN2PTPN1NOTUMRXRARXRB
SCHEMBL5776120 0.79 TDO2 (0.49) PTPN2PTPN1NOTUMRXRARXRB
SCHEMBL5774711 0.78 RXRA (0.34) PTPN1NOTUMMEN1KMT2ARXRA
SCHEMBL5776014 0.77 CYP11B1 (0.38) NOTUMMEN1KMT2AKMO
SCHEMBL5773429 0.76 RAB9A (0.38) NOTUMMAPTMEN1KMT2ARXRA

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 AHR 377/4885PTPN2 3228/4885PTPN1 3136/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 AHR 225/4885PTPN2 2553/4885PTPN1 1702/4885

“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.