SCHEMBL688212

SCHEMBL688212

CC(C)(C)N(C(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
RIPK1 Q13546 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNN4 O15554 1/20 0.36
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 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
SCHEMBL1259292 0.86 ESR1 (0.43) MEN1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL20577786 0.85 KCNQ2 (0.33) RIPK1KCNN4HTTMEN1KMT2A
SCHEMBL26621379 0.85 HDAC1 (0.39) KMT2AAR
SCHEMBL17257958 0.85 POLB (0.37) HTTMEN1KMT2APOLBLMNA
SCHEMBL1242691 0.85 IDO1 (0.35) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL2436022 0.83 KIF11 (0.44) AR
SCHEMBL28687397 0.82 HDAC1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL798563 0.80 LMNA (0.47) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL798562 0.80 LMNA (0.47) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL19179653 0.80 NR1H3 (0.35) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer GLAXOSMITHKLINE LLC 2010-08-12 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 (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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 CES2 758/4885CES1 228/4885RIPK1 3679/4885
US-20100204196-A1 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer IGF1R, IGFBP2, IGFBP1 CES2 4726/4885CES1 4108/4885RIPK1 3495/4885

“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.