SCHEMBL20089009

SCHEMBL20089009

CC(C)(O)COc1ccc(C(C)(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.38
BRD4 O60885 1/20 0.38
CCL2 P13500 1/20 0.38
SCN9A Q15858 1/20 0.34
CYP3A4 P08684 1/20 0.34
RET P07949 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
SYK P43405 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PTGS1 P23219 1/20 0.33
MCHR1 Q99705 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL20085933 0.85 EGLN2 (0.39) MRGPRX4P4HTM
SCHEMBL20249195 0.83 NUDT1 (0.41) MRGPRX4P4HTM
SCHEMBL20249230 0.82 POLB (0.33) MRGPRX4
SCHEMBL22043316 0.82 CACNA1I (0.40) PTGS2CYP3A4MRGPRX4
SCHEMBL20089414 0.80 CHRNB2 (0.41) BRD4CCL2
SCHEMBL12710188 0.79 NQO1 (0.50)
SCHEMBL30946567 0.79 MCHR1 (0.46) PTGS2BRD4CCL2SYKMCHR1
SCHEMBL30699249 0.79 KDM4E (0.40) BRD4CCL2MCHR1BACE1
SCHEMBL16331935 0.79 MCHR1 (0.46) PTGS2BRD4CCL2SYKMCHR1
SCHEMBL625665 0.79 KDM4E (0.40) BRD4CCL2MCHR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-10947216-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2021-03-16 US disclosed
US-10414753-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING MIDCAP FINANCIAL TRUST 2018-04-26 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 (5 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-10947216-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 PTGS2 1496/4885BRD4 103/4885CCL2 328/4885
US-20180111917-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PTGS2 1496/4885BRD4 103/4885CCL2 328/4885
US-10414753-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 PTGS2 1496/4885BRD4 103/4885CCL2 328/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 PTGS2 1496/4885BRD4 103/4885CCL2 328/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 PTGS2 1496/4885BRD4 103/4885CCL2 328/4885

“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.